data_2l3n_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 2l3n _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 . . . . . 0 CA--C 1.542 0.653 0 CA-C-O 120.564 0.221 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.8 t -67.73 -41.04 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 121.516 -0.74 . . . . 0.0 111.575 171.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.26 -41.75 97.46 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.512 -0.743 . . . . 0.0 112.298 172.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.41 -40.99 98.33 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.188 -0.945 . . . . 0.0 111.97 172.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.22 -41.68 94.18 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 121.704 -0.623 . . . . 0.0 111.738 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.5 mt -57.97 -48.14 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.877 0.871 . . . . 0.0 110.596 170.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.7 -40.97 89.67 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.492 0.717 . . . . 0.0 112.14 178.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -66.42 -31.46 72.23 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 173.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.4 mt -66.05 -40.96 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 119.627 1.103 . . . . 0.0 111.203 169.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.13 -44.41 94.95 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 120.128 1.331 . . . . 0.0 111.19 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -61.4 -45.16 95.51 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.541 1.536 . . . . 0.0 112.373 176.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -68.12 -40.33 82.55 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.316 1.046 . . . . 0.0 113.033 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.3 p -91.22 -2.31 57.51 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.0 t30 52.86 53.99 11.21 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.47 1.508 . . . . 0.0 112.083 -175.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.4 p -136.4 178.3 7.17 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.435 1.094 . . . . 0.0 113.772 -169.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.2 p -101.85 162.06 13.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.534 1.134 . . . . 0.0 111.455 169.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -61.92 -31.25 71.55 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 120.901 -1.125 . . . . 0.0 112.304 171.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -63.99 -45.78 87.51 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.19 0.905 . . . . 0.0 111.058 173.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -64.36 -39.17 93.34 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.085 0.554 . . . . 0.0 111.747 176.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -69.12 -38.56 78.94 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.708 -0.62 . . . . 0.0 112.378 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.83 -45.05 95.48 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.439 1.018 . . . . 0.0 110.958 173.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.66 -39.51 94.52 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 175.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.19 -41.21 94.8 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.795 -0.566 . . . . 0.0 112.06 174.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 66.9 mmm -65.35 -42.35 92.94 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.41 -0.807 . . . . 0.0 111.985 174.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -63.64 -39.22 93.81 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.359 0.664 . . . . 0.0 111.623 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 t -71.01 -29.5 65.47 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.178 0.991 . . . . 0.0 113.462 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.9 p -104.88 6.14 33.51 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -174.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.57 23.39 70.36 Favored Glycine 0 CA--C 1.537 1.439 0 O-C-N 121.28 -0.888 . . . . 0.0 114.711 176.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.13 7.14 87.36 Favored Glycine 0 CA--C 1.534 1.277 0 N-CA-C 115.769 1.067 . . . . 0.0 115.769 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -78.15 102.13 7.39 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.106 1.453 . . . . 0.0 110.186 174.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.6 t -52.63 -41.91 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.755 0.822 . . . . 0.0 111.872 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -60.88 -42.13 97.33 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 41.2 mt -74.53 -38.04 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.138 0.575 . . . . 0.0 109.524 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.12 -50.14 73.1 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.43 0.692 . . . . 0.0 111.448 177.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.7 pt -68.25 -34.84 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.518 -0.739 . . . . 0.0 111.407 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.56 -48.24 82.67 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.05 0.841 . . . . 0.0 112.909 172.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -68.05 -37.04 80.87 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.235 -0.916 . . . . 0.0 112.092 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.0 tp -68.69 -29.59 68.07 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.396 1.079 . . . . 0.0 112.692 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.0 mt . . . . . 0 N--CA 1.472 0.632 0 C-N-CA 124.082 0.953 . . . . 0.0 112.063 169.366 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -70.67 -34.82 72.42 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.421 0.688 . . . . 0.0 112.566 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -68.85 -44.35 73.56 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.501 -0.749 . . . . 0.0 111.439 175.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.75 -49.23 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.118 0.567 . . . . 0.0 109.58 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.16 -42.25 94.53 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.825 0.739 . . . . 0.0 112.599 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -60.81 -50.34 73.82 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.46 1.027 . . . . 0.0 111.761 175.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -68.04 -34.4 76.39 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.903 0.774 . . . . 0.0 112.434 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 69.1 tp -66.97 -45.25 78.28 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.128 0.971 . . . . 0.0 112.022 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.1 ttm-85 -69.84 -37.49 76.17 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-O 118.423 -0.799 . . . . 0.0 111.206 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -69.74 -40.02 76.42 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.604 1.093 . . . . 0.0 112.108 174.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -60.66 -40.52 92.36 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-N 119.305 0.957 . . . . 0.0 112.597 172.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.5 t -79.91 -45.25 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 CA--C 1.541 0.623 0 C-N-CA 123.342 0.657 . . . . 0.0 112.481 -172.088 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.71 -41.15 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 O-C-N 121.487 -0.758 . . . . 0.0 110.693 169.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -65.62 -36.9 85.05 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.416 -0.802 . . . . 0.0 112.506 172.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -64.33 -40.26 95.54 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.06 -1.025 . . . . 0.0 111.819 172.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.57 -39.97 95.77 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.567 -0.708 . . . . 0.0 111.455 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.5 mt -58.71 -45.96 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.671 0.788 . . . . 0.0 111.044 169.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.58 -36.67 84.44 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.153 0.888 . . . . 0.0 112.438 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -65.59 -44.81 85.48 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.211 -0.931 . . . . 0.0 111.605 173.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 36.4 mt -60.81 -44.18 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 121.61 -0.681 . . . . 0.0 111.07 172.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.2 tp -60.16 -41.73 93.43 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.597 1.159 . . . . 0.0 111.989 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -73.85 -40.34 63.34 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.926 0.89 . . . . 0.0 112.854 175.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -62.09 -40.48 95.99 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.212 1.005 . . . . 0.0 112.63 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 77.2 p -80.17 -7.82 59.13 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 173.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.9 t30 50.85 44.53 28.1 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.015 1.726 . . . . 0.0 112.747 -176.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 t -118.34 -175.64 2.91 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -169.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.0 t -113.33 144.87 42.02 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.55 1.54 . . . . 0.0 110.088 171.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -66.17 -23.46 66.46 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 120.346 -1.471 . . . . 0.0 113.592 -171.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -65.1 -32.31 73.94 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 120.153 1.342 . . . . 0.0 112.852 169.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -73.1 -34.79 66.39 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.279 -0.888 . . . . 0.0 111.855 170.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -64.74 -37.55 87.99 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.719 0.69 . . . . 0.0 111.393 171.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.26 -47.71 83.14 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.023 -1.048 . . . . 0.0 111.754 170.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.99 -39.46 94.79 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.74 -43.65 79.43 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.726 0.81 . . . . 0.0 112.039 175.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.2 mmm -65.34 -41.51 93.83 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.137 -0.977 . . . . 0.0 111.65 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -71.51 -29.92 65.35 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.248 -0.907 . . . . 0.0 111.933 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.7 m -73.44 -24.42 60.23 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 172.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.1 p -110.35 4.5 20.78 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 -174.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.89 24.94 70.65 Favored Glycine 0 CA--C 1.533 1.213 0 O-C-N 121.384 -0.822 . . . . 0.0 113.829 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.02 9.55 86.55 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 115.877 1.111 . . . . 0.0 115.877 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.9 mmt-85 -73.99 104.19 4.75 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.104 1.452 . . . . 0.0 110.251 175.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.4 p -58.7 -38.03 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-N 118.626 0.648 . . . . 0.0 112.297 -174.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -61.73 -42.5 99.05 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 177.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.6 mt -75.04 -35.63 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.001 0.52 . . . . 0.0 109.987 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.35 -45.87 82.46 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.232 -0.917 . . . . 0.0 111.853 176.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.1 pt -68.16 -34.82 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 O-C-N 121.198 -0.939 . . . . 0.0 111.39 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.95 93.22 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.087 0.858 . . . . 0.0 112.539 170.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -67.01 -40.19 87.23 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 121.095 -1.003 . . . . 0.0 112.836 176.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.86 -42.61 99.25 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.152 0.581 . . . . 0.0 111.985 174.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.3 mt . . . . . 0 CA--C 1.542 0.668 0 C-N-CA 123.205 0.602 . . . . 0.0 112.602 175.891 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -71.23 -39.4 71.71 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.14 0.882 . . . . 0.0 113.014 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -70.23 -43.12 71.26 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.062 0.945 . . . . 0.0 111.817 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.3 mm -60.35 -47.51 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.217 1.007 . . . . 0.0 110.09 170.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 45.3 tp -56.56 -46.94 80.44 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 120.04 1.291 . . . . 0.0 111.611 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -57.87 -56.6 19.84 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.6 0.636 . . . . 0.0 111.004 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.6 tpp85 -69.12 -28.17 66.22 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 121.006 -1.059 . . . . 0.0 112.942 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.56 -47.34 70.09 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 120.965 -1.085 . . . . 0.0 111.0 175.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -61.47 -40.8 95.83 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 118.876 -0.583 . . . . 0.0 111.535 174.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -61.35 -47.78 84.31 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.239 0.927 . . . . 0.0 112.171 174.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -57.87 -46.26 85.13 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.007 0.923 . . . . 0.0 111.748 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.3 t -81.72 -38.38 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 122.999 0.52 . . . . 0.0 112.282 -172.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 69.1 m . . . . . 0 CA--C 1.543 0.7 0 CA-C-N 118.668 0.667 . . . . 0.0 112.486 173.395 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 N--CA 1.471 0.623 0 N-CA-C 111.574 0.212 . . . . 0.0 111.574 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.1 t -70.0 -42.95 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 123.258 0.623 . . . . 0.0 111.222 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.65 -43.67 98.42 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.911 0.885 . . . . 0.0 111.573 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -61.26 -42.99 99.58 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.952 0.901 . . . . 0.0 112.283 172.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.03 91.32 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.074 0.852 . . . . 0.0 111.978 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.6 mt -59.46 -47.89 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.701 0.8 . . . . 0.0 110.76 171.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.96 -34.35 77.57 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.822 0.737 . . . . 0.0 112.777 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -64.29 -41.88 96.66 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.095 -1.003 . . . . 0.0 111.988 173.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.4 mt -64.25 -44.0 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 118.718 0.69 . . . . 0.0 111.229 172.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.4 tp -57.6 -43.27 84.54 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.55 1.14 . . . . 0.0 111.654 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 tpp85 -71.44 -46.67 59.44 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.341 1.056 . . . . 0.0 112.404 176.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -59.68 -44.18 93.73 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.623 1.169 . . . . 0.0 112.836 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.3 p -83.13 -7.15 59.67 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.5 t30 54.1 59.34 4.29 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.311 1.444 . . . . 0.0 111.554 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.0 m -124.94 158.68 32.99 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -173.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.7 p -83.67 160.4 21.34 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.41 0.624 . . . . 0.0 110.024 168.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -66.17 -33.35 75.56 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 120.682 -1.261 . . . . 0.0 112.247 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -67.72 -35.52 78.92 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 118.798 -0.62 . . . . 0.0 112.586 171.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -64.62 -43.84 92.44 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.504 1.047 . . . . 0.0 111.672 172.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.75 -40.83 75.9 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.485 -0.76 . . . . 0.0 111.903 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -59.42 -48.1 82.92 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.72 -0.613 . . . . 0.0 111.059 172.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -61.47 -42.69 99.17 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.59 -36.71 84.71 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.688 -0.632 . . . . 0.0 112.2 175.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.8 mmm -73.32 -38.44 65.8 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.282 -0.886 . . . . 0.0 112.911 176.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -65.27 -40.87 94.49 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.399 1.0 . . . . 0.0 112.131 172.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.5 t -67.69 -22.04 65.3 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.174 0.99 . . . . 0.0 113.646 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.9 p -109.93 1.36 19.08 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.08 29.35 72.3 Favored Glycine 0 CA--C 1.537 1.454 0 O-C-N 121.465 -0.772 . . . . 0.0 113.899 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.9 12.73 79.22 Favored Glycine 0 N--CA 1.472 1.041 0 N-CA-C 115.551 0.98 . . . . 0.0 115.551 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -78.08 91.75 4.32 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 119.268 1.534 . . . . 0.0 109.628 175.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.7 t -53.31 -39.56 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.729 0.812 . . . . 0.0 111.907 -175.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.3 ptm85 -61.77 -41.98 98.4 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.474 1.033 . . . . 0.0 113.402 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.3 mt -75.33 -36.27 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 123.138 0.575 . . . . 0.0 109.83 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.72 -49.49 74.87 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.343 -0.848 . . . . 0.0 111.358 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.9 pt -66.55 -35.65 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 119.136 0.88 . . . . 0.0 111.544 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.48 -46.84 83.24 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.413 1.006 . . . . 0.0 112.223 170.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -66.57 -32.72 74.24 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.3 mt -72.06 -27.72 62.87 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 172.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 CA--C 1.543 0.707 0 C-N-CA 123.713 0.805 . . . . 0.0 112.704 174.085 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -70.8 -34.03 71.33 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.718 0.807 . . . . 0.0 111.728 177.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.62 -48.25 70.09 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.444 0.698 . . . . 0.0 111.734 177.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 49.9 mm -64.07 -43.65 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 121.601 -0.687 . . . . 0.0 110.544 174.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.42 -43.79 92.99 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 118.92 0.782 . . . . 0.0 111.762 177.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -61.53 -46.02 91.71 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.49 0.716 . . . . 0.0 111.667 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -65.61 -36.97 85.27 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.247 -0.908 . . . . 0.0 112.368 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 22.8 tp -69.93 -39.23 76.25 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.057 0.543 . . . . 0.0 112.129 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -60.05 -44.28 94.78 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.243 0.929 . . . . 0.0 110.988 173.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -63.57 -49.91 71.56 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 122.108 -0.37 . . . . 0.0 111.899 175.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -60.56 -42.67 97.1 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.603 0.761 . . . . 0.0 113.012 -178.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.4 t -91.1 -37.22 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.249 0.62 . . . . 0.0 112.638 -172.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -175.102 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.5 t -65.64 -44.42 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.358 0.663 . . . . 0.0 110.76 174.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -63.51 -44.93 92.85 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.784 0.834 . . . . 0.0 111.88 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -63.26 -38.8 92.59 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.995 172.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.22 99.38 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 120.479 1.491 . . . . 0.0 111.925 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.4 mt -60.68 -48.79 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.413 0.685 . . . . 0.0 111.002 173.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.7 -29.59 65.92 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -68.91 -40.6 79.02 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.795 1.238 . . . . 0.0 111.436 170.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.5 mt -62.74 -44.1 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 118.959 0.8 . . . . 0.0 110.571 172.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.5 tp -57.27 -45.5 83.99 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.198 0.999 . . . . 0.0 111.833 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -63.76 -50.1 70.37 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.305 1.042 . . . . 0.0 112.691 173.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -61.67 -43.81 98.15 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.432 1.093 . . . . 0.0 112.729 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.8 p -76.85 -5.19 47.34 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.9 t30 54.18 35.29 22.15 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.366 1.067 . . . . 0.0 112.429 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.1 p -108.86 172.38 6.88 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.461 1.104 . . . . 0.0 113.439 -169.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -104.91 149.48 25.68 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.036 0.934 . . . . 0.0 109.991 168.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.18 -24.76 66.69 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.009 -1.057 . . . . 0.0 113.242 -170.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -60.57 -42.36 96.47 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.613 -0.679 . . . . 0.0 111.642 169.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -75.37 -30.73 60.28 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.667 -0.646 . . . . 0.0 112.436 176.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.06 -40.14 94.29 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.459 1.027 . . . . 0.0 111.303 170.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.03 -46.49 87.35 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.048 -1.033 . . . . 0.0 111.577 171.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.19 -40.71 96.95 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 177.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.21 -42.62 79.57 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.549 0.74 . . . . 0.0 111.76 177.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 78.6 mmm -65.28 -40.92 94.5 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.221 -0.924 . . . . 0.0 111.912 175.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.61 -34.84 72.56 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.254 -0.904 . . . . 0.0 112.203 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.1 m -73.05 -24.56 60.71 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.8 p -102.49 -0.99 31.42 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.69 26.07 68.26 Favored Glycine 0 CA--C 1.533 1.21 0 O-C-N 121.707 -0.621 . . . . 0.0 113.778 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.49 15.74 70.44 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-O 118.901 -0.944 . . . . 0.0 115.276 178.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -83.74 103.07 12.73 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.364 1.582 . . . . 0.0 110.363 174.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.1 t -53.61 -41.71 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.001 0.921 . . . . 0.0 111.319 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -59.65 -43.56 93.86 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.7 mt -75.56 -36.46 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.76 76.0 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.442 -0.787 . . . . 0.0 111.783 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.4 pt -66.59 -36.81 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.348 -0.845 . . . . 0.0 111.457 176.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.87 -49.62 76.09 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.864 0.756 . . . . 0.0 112.395 171.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -62.95 -39.49 94.78 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 121.265 -0.897 . . . . 0.0 112.4 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.3 mt -67.11 -39.66 86.72 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 N--CA 1.472 0.668 0 CA-C-N 119.203 0.91 . . . . 0.0 113.021 -177.514 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.7 p . . . . . 0 N--CA 1.475 0.792 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -67.95 -37.41 81.54 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.518 -0.739 . . . . 0.0 112.882 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -71.81 -39.21 70.01 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.307 -0.87 . . . . 0.0 111.564 176.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.8 mm -60.68 -46.71 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.619 0.768 . . . . 0.0 110.463 171.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.75 -46.03 90.4 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.913 0.778 . . . . 0.0 112.055 174.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -59.77 -52.12 66.81 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.624 0.647 . . . . 0.0 111.498 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -68.29 -31.82 71.53 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.72 -49.1 64.37 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.456 1.025 . . . . 0.0 111.033 174.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -65.42 -31.88 73.2 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.982 0.513 . . . . 0.0 111.763 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.86 -46.84 64.67 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.479 0.581 . . . . 0.0 112.161 171.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -55.62 -37.41 68.13 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.781 0.833 . . . . 0.0 112.78 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.0 t -92.95 -43.13 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.473 0.692 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -168.633 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 N--CA 1.471 0.624 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.7 t -73.08 -42.58 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 121.66 -0.65 . . . . 0.0 110.256 174.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -60.07 -40.49 89.68 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.45 0.568 . . . . 0.0 112.328 172.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.6 -41.53 99.02 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.116 0.966 . . . . 0.0 112.061 172.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.18 -42.27 99.34 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.711 1.141 . . . . 0.0 111.958 176.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.0 mm -60.18 -48.63 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.004 0.521 . . . . 0.0 110.83 172.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -62.24 -34.44 76.51 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.744 0.817 . . . . 0.0 112.96 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -72.07 -41.52 67.27 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.99 -1.069 . . . . 0.0 112.018 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.0 mt -62.75 -44.9 99.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 118.887 0.767 . . . . 0.0 110.797 170.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.4 tp -55.65 -45.2 77.69 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.559 1.143 . . . . 0.0 111.841 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.7 mtm105 -69.57 -45.86 67.7 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.784 0.834 . . . . 0.0 112.864 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -60.56 -35.93 77.23 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.337 0.971 . . . . 0.0 112.378 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.4 p -86.85 -0.94 57.34 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 50.42 37.42 15.56 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.701 1.6 . . . . 0.0 112.912 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 84.9 p -114.31 175.72 5.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.44 1.096 . . . . 0.0 113.549 -168.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -104.79 150.61 24.65 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.678 0.791 . . . . 0.0 109.394 166.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.94 -22.27 66.66 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.628 -1.295 . . . . 0.0 114.02 -169.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -66.59 -34.28 77.53 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 121.368 -0.833 . . . . 0.0 112.592 169.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -72.12 -39.78 68.6 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.321 -0.862 . . . . 0.0 111.118 174.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -63.5 -41.65 98.54 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 122.708 0.403 . . . . 0.0 111.101 173.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.96 -49.3 77.25 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.498 0.719 . . . . 0.0 111.579 172.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.45 -39.76 94.41 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.51 87.18 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.436 0.694 . . . . 0.0 112.31 175.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.2 mmm -69.43 -41.16 76.69 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.185 -0.947 . . . . 0.0 111.944 174.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -64.16 -37.83 88.85 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.79 0.836 . . . . 0.0 111.442 176.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.9 m -72.5 -19.73 61.48 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 178.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.7 p -112.45 -0.19 15.37 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.643 1.177 . . . . 0.0 114.038 -176.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.71 28.25 69.48 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.277 -0.889 . . . . 0.0 113.47 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.27 14.36 76.81 Favored Glycine 0 CA--C 1.532 1.123 0 N-CA-C 115.496 0.958 . . . . 0.0 115.496 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.8 mmt-85 -76.95 93.0 3.72 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.33 1.565 . . . . 0.0 109.727 175.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.5 t -51.35 -44.9 32.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 124.155 0.982 . . . . 0.0 111.829 -174.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -60.04 -42.31 94.15 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 38.7 mt -74.6 -38.38 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 123.314 0.646 . . . . 0.0 109.865 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.96 -49.53 74.37 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.829 0.852 . . . . 0.0 111.436 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.9 pt -68.6 -36.3 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.599 -0.688 . . . . 0.0 110.903 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.72 -47.56 85.74 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.379 0.99 . . . . 0.0 113.104 174.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -69.01 -39.32 79.36 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.691 -0.631 . . . . 0.0 111.975 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.9 tp -66.75 -34.58 78.15 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.442 0.697 . . . . 0.0 112.72 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.6 mt . . . . . 0 N--CA 1.472 0.652 0 C-N-CA 123.885 0.874 . . . . 0.0 112.193 169.672 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.8 p . . . . . 0 N--CA 1.47 0.531 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -71.04 -43.13 68.49 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -174.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -67.04 -39.32 86.92 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.137 0.881 . . . . 0.0 112.139 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.85 -45.56 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 118.568 0.622 . . . . 0.0 110.905 174.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 57.9 tp -58.7 -47.02 85.97 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.666 -0.646 . . . . 0.0 111.731 174.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -60.95 -49.86 75.74 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.445 0.566 . . . . 0.0 111.264 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.1 tpp85 -65.21 -36.17 83.33 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.342 0.974 . . . . 0.0 112.614 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.6 tp -61.55 -45.97 91.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.194 0.906 . . . . 0.0 110.891 173.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -69.44 -38.12 77.68 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.231 0.612 . . . . 0.0 111.97 -176.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -60.4 -52.46 65.15 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.438 0.563 . . . . 0.0 110.719 170.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 19.0 ttt-85 -58.64 -43.77 89.85 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.384 1.074 . . . . 0.0 112.682 -176.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.2 p -94.83 -31.53 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -172.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 55.6 m . . . . . 0 N--CA 1.476 0.851 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -170.91 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 . . . . . 0 N--CA 1.471 0.598 0 CA-C-O 120.728 0.299 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.6 t -76.38 -38.54 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.426 0.69 . . . . 0.0 111.205 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -60.03 -43.73 95.1 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.569 -0.707 . . . . 0.0 111.583 170.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.31 -43.11 98.75 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.365 0.666 . . . . 0.0 111.993 174.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.71 98.13 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.537 -0.727 . . . . 0.0 111.741 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.4 mt -59.72 -49.16 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-O 118.68 -0.676 . . . . 0.0 110.302 175.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.66 -39.3 83.99 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.11 0.868 . . . . 0.0 112.722 176.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.61 -45.87 90.86 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 118.617 0.644 . . . . 0.0 111.802 176.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.72 -42.4 95.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 118.352 0.524 . . . . 0.0 110.435 173.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.3 tp -60.01 -44.65 94.45 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.308 1.043 . . . . 0.0 111.872 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -76.04 -33.36 59.61 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 174.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -63.26 -40.93 98.78 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.983 0.81 . . . . 0.0 112.759 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.9 p -88.34 -11.08 47.33 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.4 t30 55.81 17.09 2.31 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 125.391 1.476 . . . . 0.0 114.039 -169.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 97.3 p -81.91 170.72 15.3 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.706 -1.246 . . . . 0.0 113.22 -174.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.9 p -88.61 159.74 17.74 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 167.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.89 -27.85 68.51 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.088 -1.632 . . . . 0.0 111.956 176.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -65.63 -43.86 88.22 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.591 -0.693 . . . . 0.0 111.805 170.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -62.79 -40.9 98.75 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.104 0.562 . . . . 0.0 111.449 174.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -67.08 -42.98 83.73 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.719 -0.613 . . . . 0.0 112.239 176.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.27 -45.33 94.95 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.941 0.791 . . . . 0.0 110.887 175.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.53 -39.92 95.69 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.59 0.756 . . . . 0.0 112.946 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.6 88.75 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.621 -0.674 . . . . 0.0 112.285 175.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.5 mmm -66.46 -42.84 86.97 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.26 -0.9 . . . . 0.0 111.915 173.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.6 -36.54 84.16 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.505 1.048 . . . . 0.0 112.418 172.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.9 m -70.76 -23.54 62.43 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.9 p -108.14 2.26 22.8 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -177.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.49 23.72 64.53 Favored Glycine 0 CA--C 1.535 1.342 0 O-C-N 121.755 -0.591 . . . . 0.0 114.138 177.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.28 58.68 3.3 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.078 0.847 . . . . 0.0 113.586 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.44 107.65 6.08 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.085 0.954 . . . . 0.0 111.021 177.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.04 -43.27 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -168.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -63.63 -37.89 89.03 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 119.901 1.228 . . . . 0.0 113.2 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.4 mm -73.01 -37.7 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.444 0.698 . . . . 0.0 110.006 177.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.7 -45.74 81.62 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.499 -0.751 . . . . 0.0 111.957 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 pt -68.88 -35.93 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 121.441 -0.787 . . . . 0.0 111.236 175.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.57 -45.82 88.21 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.231 0.923 . . . . 0.0 112.383 171.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -68.9 -33.95 74.61 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.9 mt -65.21 -37.8 88.42 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.305 0.502 . . . . 0.0 112.049 171.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.317 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.6 m . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -71.85 -33.12 68.18 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.8 0.727 . . . . 0.0 112.372 175.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -70.13 -46.6 64.44 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.277 -0.889 . . . . 0.0 111.002 175.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.81 -47.41 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 123.409 0.684 . . . . 0.0 110.248 173.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.1 tp -58.99 -46.11 88.96 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 118.567 -0.73 . . . . 0.0 112.257 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -63.14 -44.14 96.37 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.981 1.264 . . . . 0.0 111.629 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -69.41 -35.17 75.47 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.012 -1.055 . . . . 0.0 112.976 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.5 tp -66.32 -36.52 83.13 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.534 -0.729 . . . . 0.0 111.525 172.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.1 ttp85 -66.0 -41.93 90.4 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.649 1.18 . . . . 0.0 110.648 174.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -59.34 -52.61 64.89 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.165 0.893 . . . . 0.0 111.097 172.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 64.8 mtp85 -62.55 -39.66 94.33 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.033 0.933 . . . . 0.0 112.959 -176.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.5 t -83.54 -47.92 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.376 0.671 . . . . 0.0 112.018 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 81.5 p . . . . . 0 N--CA 1.476 0.829 0 CA-C-N 119.508 1.049 . . . . 0.0 112.247 -177.972 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 . . . . . 0 N--CA 1.471 0.597 0 N-CA-C 111.5 0.185 . . . . 0.0 111.5 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 t -72.28 -39.14 63.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.294 0.638 . . . . 0.0 111.051 176.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.54 -44.5 96.93 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.2 0.6 . . . . 0.0 111.98 173.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.87 -41.36 99.35 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.972 0.909 . . . . 0.0 112.235 173.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.96 96.71 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 118.962 0.801 . . . . 0.0 111.576 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.5 mt -60.22 -46.39 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 123.804 0.842 . . . . 0.0 111.016 172.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -34.88 78.82 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.458 -0.776 . . . . 0.0 112.843 178.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -65.67 -40.86 92.84 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.757 0.823 . . . . 0.0 111.996 173.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.2 mt -64.97 -45.47 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-N 118.823 0.738 . . . . 0.0 111.021 172.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.8 tp -56.08 -44.48 79.0 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.486 1.114 . . . . 0.0 111.524 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -70.09 -46.29 65.19 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.078 0.951 . . . . 0.0 112.56 176.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -58.86 -41.52 87.22 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.31 1.044 . . . . 0.0 112.512 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.2 p -86.57 -1.83 57.98 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 51.0 33.33 8.76 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.394 1.477 . . . . 0.0 113.15 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.2 p -101.82 174.62 5.87 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.854 1.262 . . . . 0.0 113.921 -168.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.2 p -92.01 155.09 18.36 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.388 0.675 . . . . 0.0 110.018 168.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -64.45 -31.91 73.31 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.115 -0.99 . . . . 0.0 112.355 178.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -67.72 -40.02 84.28 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 122.042 -0.411 . . . . 0.0 111.8 174.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -67.29 -39.91 86.06 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.664 0.665 . . . . 0.0 111.935 175.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -65.97 -43.31 88.26 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.936 0.789 . . . . 0.0 112.139 174.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.76 -44.57 93.8 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.671 -0.643 . . . . 0.0 111.445 174.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -65.71 -40.67 92.47 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.63 -41.87 99.27 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.208 0.603 . . . . 0.0 111.691 174.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 69.5 mmm -67.67 -38.02 83.18 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.892 0.877 . . . . 0.0 112.804 174.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -64.79 -42.12 95.3 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.859 0.754 . . . . 0.0 111.529 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.7 p -69.14 -24.48 64.09 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.4 p -102.62 -3.6 26.42 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.936 1.294 . . . . 0.0 113.869 -178.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.11 27.38 72.07 Favored Glycine 0 CA--C 1.537 1.418 0 O-C-N 121.579 -0.7 . . . . 0.0 113.645 -177.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.06 14.24 72.59 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 115.351 0.9 . . . . 0.0 115.351 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -77.72 93.23 4.25 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.573 1.686 . . . . 0.0 109.618 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.5 t -53.48 -42.04 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 123.935 0.894 . . . . 0.0 112.28 -170.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -61.96 -41.59 98.17 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.485 1.039 . . . . 0.0 113.447 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.6 mt -74.17 -36.81 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 123.351 0.66 . . . . 0.0 109.563 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.77 -48.34 74.88 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.456 0.702 . . . . 0.0 111.525 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.7 pt -68.58 -35.57 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 119.121 0.873 . . . . 0.0 111.473 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.18 87.43 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.893 0.769 . . . . 0.0 112.859 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -66.23 -42.58 88.45 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.959 0.904 . . . . 0.0 112.058 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.9 tp -63.61 -29.48 70.72 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.166 0.986 . . . . 0.0 112.152 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.8 mt . . . . . 0 N--CA 1.471 0.609 0 C-N-CA 123.733 0.813 . . . . 0.0 112.904 169.688 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.4 p . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -71.48 -38.52 71.2 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.222 0.609 . . . . 0.0 112.423 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -65.0 -46.13 82.66 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.127 0.876 . . . . 0.0 111.897 177.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 mp -68.76 -41.66 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.564 -0.71 . . . . 0.0 110.394 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.8 tp -57.88 -45.18 86.77 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 118.888 0.767 . . . . 0.0 111.892 173.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -61.58 -47.14 86.85 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.637 0.653 . . . . 0.0 111.532 176.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -36.03 82.64 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.602 0.637 . . . . 0.0 112.312 177.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.6 tp -68.65 -39.76 80.53 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.746 -0.596 . . . . 0.0 111.7 173.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 57.8 ttm-85 -63.58 -39.4 94.28 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.244 0.929 . . . . 0.0 111.273 176.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -61.83 -52.69 63.14 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.26 0.482 . . . . 0.0 111.334 171.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -60.16 -40.54 90.28 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.706 0.802 . . . . 0.0 113.093 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.0 t -95.2 -33.46 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.569 0.748 . . . . 0.0 113.0 -172.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -170.374 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.9 t -69.41 -41.36 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.783 0.833 . . . . 0.0 110.638 175.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.23 -40.43 94.06 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.574 0.75 . . . . 0.0 112.775 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -63.26 -41.48 99.04 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.914 0.885 . . . . 0.0 111.588 172.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.38 94.83 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 118.793 0.724 . . . . 0.0 111.903 176.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.1 mt -58.73 -48.63 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.648 0.779 . . . . 0.0 111.137 171.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -67.03 -38.29 85.65 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.513 0.597 . . . . 0.0 111.768 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.46 -43.54 93.17 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.104 -0.998 . . . . 0.0 111.76 173.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.4 mt -63.53 -44.99 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 118.853 0.751 . . . . 0.0 111.005 173.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.7 tp -56.86 -47.53 80.2 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.521 1.129 . . . . 0.0 111.952 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -74.88 -37.46 62.15 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 118.887 -0.577 . . . . 0.0 112.336 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -64.58 -41.34 96.33 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 118.965 0.802 . . . . 0.0 112.611 178.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.5 p -83.44 -5.92 59.3 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 175.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.3 t30 51.35 45.57 27.76 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.663 1.585 . . . . 0.0 112.573 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.2 p -112.83 172.86 6.68 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.002 1.321 . . . . 0.0 113.724 -169.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.4 p -91.95 153.68 19.32 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.579 0.752 . . . . 0.0 110.38 169.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.71 -36.4 83.5 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.233 -0.917 . . . . 0.0 111.321 -177.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -66.82 -36.26 81.96 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 173.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -71.7 -33.75 69.04 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.435 1.016 . . . . 0.0 112.381 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -67.15 -43.92 81.1 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.752 0.706 . . . . 0.0 111.436 170.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.36 -43.37 96.6 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.227 -0.921 . . . . 0.0 111.375 174.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.58 -40.42 96.85 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.145 0.578 . . . . 0.0 112.304 174.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.78 85.04 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.6 -0.687 . . . . 0.0 112.146 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.6 mmm -67.84 -42.42 81.46 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.383 -0.823 . . . . 0.0 112.326 172.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -65.07 -36.93 85.89 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.658 1.117 . . . . 0.0 112.384 174.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.8 t -66.2 -26.91 67.61 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.312 1.045 . . . . 0.0 113.148 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.5 p -111.71 3.31 17.72 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -173.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.08 23.99 72.84 Favored Glycine 0 CA--C 1.533 1.19 0 O-C-N 121.668 -0.645 . . . . 0.0 113.693 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.76 8.05 83.3 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 118.328 -1.262 . . . . 0.0 116.007 175.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.9 mtt85 -78.12 110.66 13.29 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 120.011 1.906 . . . . 0.0 110.495 173.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.6 t -59.29 -38.69 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-O 118.591 -0.719 . . . . 0.0 111.677 -176.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -60.49 -44.07 96.34 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 119.752 1.16 . . . . 0.0 113.478 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.1 mm -76.37 -34.93 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 122.602 0.361 . . . . 0.0 110.133 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.12 -49.97 73.76 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.53 -0.731 . . . . 0.0 111.241 174.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.5 pt -67.7 -33.32 61.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 119.365 0.984 . . . . 0.0 111.721 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.61 -47.74 83.32 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.173 0.897 . . . . 0.0 112.597 171.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -69.28 -38.67 78.45 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.932 -1.105 . . . . 0.0 112.669 175.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.0 tp -63.19 -34.17 77.06 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.389 1.076 . . . . 0.0 112.247 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 CA--C 1.54 0.563 0 C-N-CA 124.229 1.012 . . . . 0.0 113.004 171.119 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.472 0.637 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -71.96 -32.41 67.25 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.511 1.05 . . . . 0.0 112.871 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -62.94 -48.01 80.74 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 118.937 0.789 . . . . 0.0 111.428 172.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.0 mm -61.98 -43.03 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.05 0.94 . . . . 0.0 110.567 175.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 66.6 tp -59.79 -47.76 84.39 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.434 1.015 . . . . 0.0 112.173 174.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -57.29 -53.85 53.46 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.06 0.846 . . . . 0.0 111.561 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -67.0 -36.37 82.01 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 118.075 -0.964 . . . . 0.0 112.123 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 34.4 tp -68.95 -41.14 78.4 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 120.383 1.447 . . . . 0.0 111.378 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 50.7 ttt85 -69.4 -37.27 77.42 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.598 0.635 . . . . 0.0 111.389 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -66.54 -48.93 68.14 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.302 0.501 . . . . 0.0 111.78 170.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -61.04 -37.36 82.35 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.5 1.12 . . . . 0.0 113.466 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.1 t -93.66 -38.15 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -176.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -168.945 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 . . . . . 0 N--CA 1.468 0.456 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.1 t -72.69 -33.35 44.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 121.448 -0.783 . . . . 0.0 111.987 175.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.7 -41.74 95.81 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 120.809 -1.182 . . . . 0.0 112.092 171.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -61.46 -42.82 99.36 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.951 0.5 . . . . 0.0 111.991 170.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.47 -42.34 98.6 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.57 -0.706 . . . . 0.0 112.009 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.2 mt -61.66 -45.79 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.21 1.004 . . . . 0.0 111.166 174.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.95 -39.63 94.58 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.21 0.914 . . . . 0.0 112.781 176.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -62.79 -43.76 97.95 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.421 -0.8 . . . . 0.0 111.281 174.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.6 mt -63.37 -45.9 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.437 0.695 . . . . 0.0 111.575 174.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.7 tp -56.9 -45.1 82.86 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.872 1.269 . . . . 0.0 111.417 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 -72.86 -41.34 64.87 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 175.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -61.68 -40.73 96.01 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.014 0.925 . . . . 0.0 112.872 177.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.0 p -80.92 -8.92 59.86 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 174.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 52.64 33.83 14.56 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.635 1.574 . . . . 0.0 113.239 -173.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.8 p -100.17 173.31 6.69 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.51 1.124 . . . . 0.0 113.165 -173.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.9 p -98.78 158.09 15.86 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.944 0.898 . . . . 0.0 110.259 168.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.4 -33.73 74.18 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.075 -1.015 . . . . 0.0 112.267 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -68.07 -39.2 83.0 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.36 0.664 . . . . 0.0 112.083 173.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -69.09 -36.84 78.04 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.653 -0.654 . . . . 0.0 112.018 174.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.26 -39.56 82.18 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.233 -0.917 . . . . 0.0 111.757 174.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.74 -48.68 80.36 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.426 -0.796 . . . . 0.0 111.742 170.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.19 -41.44 96.82 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 177.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.0 -39.93 90.71 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.341 0.657 . . . . 0.0 112.295 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 79.1 mmm -67.06 -43.86 81.6 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.254 -0.904 . . . . 0.0 111.941 174.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.9 -37.58 84.64 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.371 0.987 . . . . 0.0 112.286 176.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.1 t -71.11 -27.45 63.6 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.29 1.036 . . . . 0.0 113.449 177.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.8 p -98.52 -2.41 38.85 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.75 25.02 75.03 Favored Glycine 0 CA--C 1.536 1.351 0 O-C-N 121.341 -0.849 . . . . 0.0 113.815 -177.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.69 7.05 79.23 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 116.081 1.192 . . . . 0.0 116.081 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -74.14 89.5 1.99 Allowed 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 118.711 1.255 . . . . 0.0 109.791 173.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.5 p -56.62 -35.3 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.794 0.838 . . . . 0.0 113.023 -172.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -60.78 -40.55 93.01 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.121 0.873 . . . . 0.0 113.337 173.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.6 mt -73.9 -36.09 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 122.944 0.497 . . . . 0.0 109.915 176.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.06 -47.14 81.29 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.2 -0.937 . . . . 0.0 111.738 177.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.0 pt -68.06 -37.76 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.396 -0.815 . . . . 0.0 111.343 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.84 91.86 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.917 0.78 . . . . 0.0 112.622 171.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -67.63 -39.33 84.65 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.469 1.108 . . . . 0.0 112.131 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.94 -38.58 83.0 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.511 0.725 . . . . 0.0 112.383 174.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 80.3 mt . . . . . 0 N--CA 1.474 0.731 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 175.497 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.5 p . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -63.97 -43.34 96.05 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.216 0.916 . . . . 0.0 111.809 168.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -66.08 -39.23 89.86 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 118.469 -0.777 . . . . 0.0 112.585 174.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.7 mm -60.87 -49.56 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-N 119.477 1.035 . . . . 0.0 110.11 172.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.47 -44.14 96.21 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.91 0.777 . . . . 0.0 111.524 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -62.84 -47.0 85.29 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.8 0.727 . . . . 0.0 111.466 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -41.88 99.6 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 121.286 -0.884 . . . . 0.0 111.779 177.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.06 -49.48 61.08 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.344 1.058 . . . . 0.0 111.744 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -61.6 -42.4 98.81 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.631 0.773 . . . . 0.0 111.426 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -69.67 -39.8 76.79 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.716 -0.615 . . . . 0.0 112.236 176.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.9 ttt-85 -58.36 -44.53 88.84 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.834 0.854 . . . . 0.0 112.629 174.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.3 t -87.74 -38.65 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -174.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -171.621 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 111.198 0.073 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -74.45 -35.53 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 122.927 0.491 . . . . 0.0 111.803 175.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -60.89 -46.56 90.15 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.086 0.857 . . . . 0.0 112.099 171.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -64.36 -40.39 95.76 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.086 0.954 . . . . 0.0 112.38 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.54 -42.86 95.44 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.073 0.851 . . . . 0.0 111.85 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.1 mt -62.2 -47.77 91.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.701 0.8 . . . . 0.0 110.764 174.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.76 -39.94 95.73 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.089 0.858 . . . . 0.0 112.823 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -64.27 -44.75 90.77 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.3 -0.875 . . . . 0.0 111.92 175.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.8 mt -63.3 -44.68 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 118.72 0.691 . . . . 0.0 110.806 174.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 42.2 tp -56.19 -45.55 79.74 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.445 1.098 . . . . 0.0 111.85 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -73.12 -43.97 60.89 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.455 0.702 . . . . 0.0 112.641 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -61.91 -39.33 91.62 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.921 0.888 . . . . 0.0 112.732 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.6 p -80.85 -5.88 57.88 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.4 t30 50.83 38.94 21.13 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.376 1.471 . . . . 0.0 113.124 -178.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.9 m -118.74 171.61 8.08 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.847 1.259 . . . . 0.0 112.771 -170.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.3 p -87.88 161.89 17.24 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.471 0.709 . . . . 0.0 110.935 170.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -65.61 -31.15 72.02 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.117 -0.99 . . . . 0.0 111.622 175.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -67.92 -43.0 80.2 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.639 -0.663 . . . . 0.0 112.089 172.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -64.13 -38.92 92.79 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.781 0.719 . . . . 0.0 111.626 174.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -64.29 -44.57 91.23 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.309 0.504 . . . . 0.0 111.733 174.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.82 -44.42 96.94 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.951 0.796 . . . . 0.0 111.657 174.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.04 -39.86 95.03 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.48 -41.82 88.39 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.744 -0.598 . . . . 0.0 112.128 175.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.0 mmm -62.11 -43.07 99.63 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.614 -0.679 . . . . 0.0 111.543 173.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -64.82 -42.43 94.98 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.332 -0.855 . . . . 0.0 111.987 175.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.1 t -67.45 -32.4 73.24 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.238 1.015 . . . . 0.0 113.221 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.6 p -97.9 3.08 49.77 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.34 21.35 64.91 Favored Glycine 0 CA--C 1.533 1.21 0 O-C-N 121.353 -0.842 . . . . 0.0 114.289 174.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.41 -2.95 83.65 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 116.115 1.206 . . . . 0.0 116.115 174.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -75.92 108.53 8.86 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.492 1.646 . . . . 0.0 110.425 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.0 p -61.14 -36.14 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -171.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -62.1 -40.3 95.41 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 121.24 -0.913 . . . . 0.0 113.305 175.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.0 mt -74.96 -35.37 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.648 0.779 . . . . 0.0 109.865 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.97 77.88 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.496 -0.753 . . . . 0.0 112.05 175.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 pt -67.74 -35.24 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 121.208 -0.933 . . . . 0.0 111.348 176.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.33 -42.94 92.62 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.34 0.973 . . . . 0.0 112.854 169.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -66.36 -35.5 80.5 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.785 0.834 . . . . 0.0 112.744 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.2 mt -72.57 -36.52 68.21 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 175.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.5 mt . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -175.837 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.472 0.643 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -71.4 -32.44 68.43 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.171 -0.956 . . . . 0.0 112.991 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -64.48 -47.15 80.04 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.002 0.819 . . . . 0.0 111.501 173.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.0 mm -62.51 -44.26 99.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.521 0.728 . . . . 0.0 110.162 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 58.6 tp -58.15 -53.78 54.39 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.374 0.988 . . . . 0.0 112.204 176.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -68.07 -40.49 82.73 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.751 0.705 . . . . 0.0 111.567 -174.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -65.2 -35.29 80.59 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.969 0.804 . . . . 0.0 112.26 173.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 26.3 tp -70.79 -36.07 72.84 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.448 1.022 . . . . 0.0 112.275 175.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -62.79 -45.83 90.84 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.063 0.945 . . . . 0.0 111.134 173.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -61.53 -50.48 72.51 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 117.923 0.329 . . . . 0.0 111.475 174.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.9 ttt85 -60.04 -41.13 91.63 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.907 1.283 . . . . 0.0 113.796 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.6 t -96.94 -34.53 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.611 0.765 . . . . 0.0 112.464 -173.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -172.874 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 . . . . . 0 CA--C 1.541 0.615 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.9 t -67.34 -47.67 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.648 0.779 . . . . 0.0 112.027 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -68.57 -37.16 79.65 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.473 -0.767 . . . . 0.0 112.333 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -62.36 -42.13 99.16 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.866 0.867 . . . . 0.0 112.151 169.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.11 -38.75 92.19 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 118.786 0.721 . . . . 0.0 111.602 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.7 mt -59.12 -47.78 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.721 0.809 . . . . 0.0 111.211 172.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.24 -35.31 80.09 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.699 1.136 . . . . 0.0 113.693 175.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -63.64 -44.37 94.08 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.273 -0.892 . . . . 0.0 111.015 175.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 53.9 mt -63.72 -43.83 98.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.671 0.788 . . . . 0.0 111.18 173.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.0 tp -58.41 -43.31 88.56 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.608 0.763 . . . . 0.0 112.059 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -68.64 -47.11 67.42 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.08 0.952 . . . . 0.0 112.375 175.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -62.34 -41.07 98.26 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.15 0.98 . . . . 0.0 113.233 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.7 p -84.63 -11.13 56.55 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 52.02 41.33 29.72 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.515 1.526 . . . . 0.0 113.065 174.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.0 t -131.26 -176.09 3.91 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.786 1.234 . . . . 0.0 111.936 178.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.4 p -85.15 161.05 19.8 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.626 0.77 . . . . 0.0 112.568 -176.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.13 -33.92 77.18 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 121.294 -0.879 . . . . 0.0 111.259 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -64.74 -46.65 81.32 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 118.864 -0.588 . . . . 0.0 111.341 172.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -64.43 -32.14 73.63 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.257 0.935 . . . . 0.0 112.627 177.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.41 -44.07 75.84 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.163 0.892 . . . . 0.0 112.101 171.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.04 -43.43 98.9 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.081 0.855 . . . . 0.0 111.412 174.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.67 -41.84 98.12 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.298 1.039 . . . . 0.0 112.8 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.84 -39.67 87.71 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.19 0.596 . . . . 0.0 111.963 175.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.0 mmm -65.95 -42.68 89.68 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.701 0.8 . . . . 0.0 112.142 174.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -65.54 -38.78 90.62 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.506 -0.746 . . . . 0.0 111.883 175.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -70.07 -20.72 63.21 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.4 p -113.54 3.59 15.8 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.08 26.13 64.98 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 123.791 0.71 . . . . 0.0 114.272 175.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.07 8.99 86.74 Favored Glycine 0 CA--C 1.535 1.305 0 N-CA-C 115.718 1.047 . . . . 0.0 115.718 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -78.41 99.77 6.54 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.956 1.378 . . . . 0.0 109.774 174.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 67.0 t -54.59 -42.06 58.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 123.789 0.836 . . . . 0.0 111.886 -172.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -61.25 -41.76 97.47 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.249 0.931 . . . . 0.0 113.376 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.2 mt -74.16 -37.33 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.347 0.659 . . . . 0.0 109.753 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.27 -49.61 73.41 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.668 0.787 . . . . 0.0 111.842 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 pt -68.58 -35.42 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-O 118.668 -0.682 . . . . 0.0 111.178 177.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.48 -46.08 91.42 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.473 1.033 . . . . 0.0 112.835 171.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -66.36 -40.39 89.76 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 121.357 -0.84 . . . . 0.0 111.851 177.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.4 tp -68.13 -34.75 76.93 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.012 0.925 . . . . 0.0 112.807 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 70.9 mt . . . . . 0 N--CA 1.473 0.69 0 C-N-CA 123.743 0.817 . . . . 0.0 112.468 170.28 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.0 p . . . . . 0 N--CA 1.476 0.872 0 CA-C-O 121.244 0.545 . . . . 0.0 112.257 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -71.62 -31.76 67.24 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.163 0.985 . . . . 0.0 112.129 172.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -65.22 -41.56 94.3 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.928 1.24 . . . . 0.0 112.229 171.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.2 -47.13 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 119.389 0.995 . . . . 0.0 109.921 172.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 58.5 tp -55.77 -47.05 77.7 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.84 0.746 . . . . 0.0 112.175 174.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -61.61 -50.54 72.15 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.511 0.724 . . . . 0.0 111.519 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -64.4 -36.38 83.97 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.295 -0.878 . . . . 0.0 112.029 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.7 tp -65.78 -40.93 92.44 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.313 0.96 . . . . 0.0 111.557 174.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.5 ttp180 -63.09 -48.92 76.56 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.73 0.696 . . . . 0.0 111.195 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -66.6 -42.79 86.37 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.448 0.567 . . . . 0.0 111.735 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -62.3 -39.17 92.11 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.121 0.968 . . . . 0.0 112.879 177.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.0 t -83.89 -48.2 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.553 0.741 . . . . 0.0 112.512 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 N--CA 1.472 0.637 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -172.861 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 . . . . . 0 N--CA 1.47 0.55 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.6 t -71.13 -45.46 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.208 0.603 . . . . 0.0 110.636 174.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.19 -41.44 97.07 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.844 -0.535 . . . . 0.0 112.289 175.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -61.47 -42.6 99.03 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.654 0.781 . . . . 0.0 111.831 173.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.5 -40.29 85.19 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.805 0.729 . . . . 0.0 112.25 176.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.2 mt -58.54 -48.74 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 123.535 0.734 . . . . 0.0 110.207 171.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -69.31 -34.62 74.95 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.022 0.828 . . . . 0.0 113.157 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -60.26 -51.68 68.51 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.35 0.66 . . . . 0.0 110.786 169.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 55.7 mt -59.45 -44.3 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 118.632 0.651 . . . . 0.0 111.148 176.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.8 tp -57.14 -44.97 83.88 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.743 1.217 . . . . 0.0 112.18 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.3 mtm105 -73.29 -41.19 63.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.651 0.78 . . . . 0.0 113.098 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -63.99 -36.39 83.83 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.501 1.046 . . . . 0.0 112.583 177.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.1 p -82.47 -9.71 59.32 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 173.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.4 t30 50.34 46.14 25.39 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.31 1.444 . . . . 0.0 112.279 -172.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.9 t -114.47 176.44 5.05 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.541 1.136 . . . . 0.0 112.949 -169.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 t -111.22 150.31 29.73 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.993 1.317 . . . . 0.0 110.281 168.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -64.23 -27.73 69.26 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.913 -1.117 . . . . 0.0 112.759 -169.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -65.71 -42.5 91.05 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.388 -0.82 . . . . 0.0 112.233 171.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -72.1 -33.54 67.93 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.541 -0.725 . . . . 0.0 112.068 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -63.28 -43.85 96.74 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.643 -0.661 . . . . 0.0 111.048 171.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -62.74 -43.6 98.38 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.273 -0.892 . . . . 0.0 111.545 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.95 -41.05 95.54 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.16 -40.37 90.47 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.333 0.653 . . . . 0.0 112.184 175.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 82.3 mmm -63.5 -44.39 94.48 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.414 -0.804 . . . . 0.0 111.74 173.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.72 -41.2 99.03 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.005 0.82 . . . . 0.0 111.946 176.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.1 t -66.54 -30.52 70.85 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.028 0.931 . . . . 0.0 113.412 176.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.6 p -101.84 5.28 41.0 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -177.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.53 21.45 69.4 Favored Glycine 0 CA--C 1.537 1.413 0 O-C-N 121.245 -0.909 . . . . 0.0 114.567 175.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.52 6.65 83.26 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 124.482 1.039 . . . . 0.0 114.615 -178.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.0 mtt85 -77.3 97.04 4.74 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.24 1.52 . . . . 0.0 110.846 174.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.6 p -53.88 -37.75 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 123.51 0.724 . . . . 0.0 112.561 178.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -60.79 -42.58 97.86 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.245 0.93 . . . . 0.0 113.417 176.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.2 mm -78.93 -33.89 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.337 0.655 . . . . 0.0 110.82 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.82 -50.27 72.99 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.436 -0.79 . . . . 0.0 111.198 174.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.3 pt -68.69 -34.47 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 121.417 -0.802 . . . . 0.0 111.611 177.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.72 -44.12 90.34 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.307 0.958 . . . . 0.0 112.544 169.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -67.02 -30.81 71.0 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.156 0.982 . . . . 0.0 113.2 176.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.22 -36.82 74.8 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.708 0.685 . . . . 0.0 112.589 169.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 CA--C 1.544 0.735 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -173.36 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.1 p . . . . . 0 N--CA 1.469 0.504 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -70.37 -45.46 65.99 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -167.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -66.63 -44.42 82.05 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.754 1.161 . . . . 0.0 111.039 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 42.8 mm -59.35 -49.73 82.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.055 0.942 . . . . 0.0 110.475 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.83 -45.99 83.81 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.664 0.666 . . . . 0.0 111.48 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -61.25 -49.86 75.38 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.486 1.039 . . . . 0.0 111.341 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.6 tpp85 -70.53 -31.53 68.63 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.576 1.08 . . . . 0.0 113.085 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.0 tp -67.96 -40.18 83.23 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.16 0.891 . . . . 0.0 111.881 172.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.3 ttp85 -65.19 -42.61 93.43 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.691 1.196 . . . . 0.0 110.966 175.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -60.99 -51.72 68.04 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.376 0.535 . . . . 0.0 111.019 175.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -61.44 -41.43 97.19 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.4 t -86.78 -39.61 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -174.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 CA--C 1.544 0.724 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -169.884 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 CA--C 1.543 0.679 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 m -71.11 -32.3 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 CA-C-N 119.571 1.078 . . . . 0.0 113.161 173.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -68.51 -39.7 81.13 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.804 1.184 . . . . 0.0 112.557 172.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -60.89 -43.01 99.09 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.344 -0.848 . . . . 0.0 111.258 169.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.78 98.26 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.791 -0.568 . . . . 0.0 111.801 176.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.0 mt -58.08 -45.81 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.037 0.935 . . . . 0.0 111.415 170.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -36.75 83.58 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.394 0.997 . . . . 0.0 112.592 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -67.88 -40.3 83.59 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.208 -0.933 . . . . 0.0 111.732 173.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.3 mt -62.28 -45.15 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.398 0.679 . . . . 0.0 110.754 172.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.7 tp -58.56 -44.76 89.83 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.719 1.208 . . . . 0.0 111.814 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.7 mtt-85 -69.5 -41.56 75.91 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.521 0.728 . . . . 0.0 112.779 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -65.21 -45.51 84.45 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.175 0.99 . . . . 0.0 112.812 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.7 p -75.31 -13.44 60.42 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.295 13.9 p30 51.27 33.87 10.52 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.664 1.586 . . . . 0.0 114.334 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.1 m -114.74 173.35 6.52 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.273 1.429 . . . . 0.0 111.978 177.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.5 p -79.31 160.57 26.72 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.543 0.687 . . . . 0.0 111.593 174.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -64.37 -31.28 72.42 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.459 -0.775 . . . . 0.0 111.581 172.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -67.83 -43.87 78.55 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.225 0.61 . . . . 0.0 111.841 176.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.13 -33.0 72.76 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.258 -0.901 . . . . 0.0 111.826 175.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -65.3 -41.05 94.46 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.391 -0.818 . . . . 0.0 111.628 171.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.52 -49.08 78.98 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.589 0.756 . . . . 0.0 111.813 172.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.34 -39.98 84.91 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 177.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.06 -42.69 80.1 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 175.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.3 mmm -62.39 -42.34 99.35 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.058 -1.026 . . . . 0.0 111.646 174.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -68.69 -35.43 77.17 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.298 -0.876 . . . . 0.0 112.475 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 m -77.96 -24.42 48.15 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 78.3 p -101.35 1.31 38.41 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.17 25.27 49.07 Favored Glycine 0 CA--C 1.533 1.165 0 O-C-N 121.726 -0.608 . . . . 0.0 114.156 176.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.52 2.45 88.92 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-O 118.501 -1.166 . . . . 0.0 115.736 175.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -78.28 114.89 17.58 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.79 1.795 . . . . 0.0 111.249 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.23 -39.36 78.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-O 119.134 -0.46 . . . . 0.0 112.033 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -61.68 -41.76 98.0 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.0 mm -75.4 -36.38 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 122.986 0.514 . . . . 0.0 110.188 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.01 -47.46 74.4 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.64 -0.662 . . . . 0.0 111.972 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 pt -66.81 -35.42 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.439 -0.788 . . . . 0.0 111.264 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.87 -45.42 92.54 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.79 1.177 . . . . 0.0 112.794 171.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -64.74 -36.82 85.53 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 121.413 -0.804 . . . . 0.0 112.705 176.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mp -69.34 -39.0 78.43 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 N--CA 1.475 0.806 0 CA-C-N 119.364 0.984 . . . . 0.0 112.31 176.526 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.8 m . . . . . 0 N--CA 1.472 0.674 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -67.24 -42.25 84.3 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.041 0.837 . . . . 0.0 112.207 178.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -67.26 -41.25 85.85 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.504 -0.748 . . . . 0.0 111.461 175.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 32.2 mm -61.89 -47.38 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-O 118.719 -0.657 . . . . 0.0 110.646 174.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 58.2 tp -59.35 -48.88 79.97 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.769 1.168 . . . . 0.0 111.914 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -58.31 -53.75 54.77 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.283 0.492 . . . . 0.0 110.895 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -67.14 -35.13 79.05 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 118.264 -0.874 . . . . 0.0 112.604 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.98 -50.98 60.58 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.392 0.997 . . . . 0.0 111.008 176.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -63.12 -41.03 99.25 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.286 0.634 . . . . 0.0 110.824 -178.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -68.44 -46.57 69.48 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.094 0.861 . . . . 0.0 112.793 174.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -25.06 65.04 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.609 1.095 . . . . 0.0 113.845 -177.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.8 p -88.72 -36.79 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 173.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.1 p . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 -174.364 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 . . . . . 0 CA--C 1.543 0.69 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.0 t -73.31 -35.59 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 O-C-N 121.506 -0.746 . . . . 0.0 112.226 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.409 ' CG ' HH21 ' A' ' 95' ' ' ARG . 18.8 t70 -64.11 -43.37 95.55 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 121.19 -0.944 . . . . 0.0 111.65 174.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.39 -41.45 98.67 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.938 0.895 . . . . 0.0 112.237 169.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.66 88.21 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.618 -0.676 . . . . 0.0 111.879 176.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.8 mt -62.33 -47.42 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.614 172.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -62.65 -36.71 83.71 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 120.468 1.485 . . . . 0.0 113.025 175.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -64.36 -43.4 94.66 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.172 -0.955 . . . . 0.0 111.769 175.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 54.1 mt -63.51 -43.75 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.798 0.839 . . . . 0.0 110.906 173.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.1 tp -60.48 -42.54 96.48 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.49 1.116 . . . . 0.0 111.501 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -68.33 -45.04 73.98 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.179 0.991 . . . . 0.0 112.441 173.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -64.2 -40.12 95.41 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.8 p -85.18 -13.22 50.71 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -176.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.6 t30 52.91 52.02 14.73 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.814 1.246 . . . . 0.0 112.443 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -136.81 169.16 18.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.465 1.506 . . . . 0.0 111.987 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.7 p -84.74 161.57 19.96 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.312 0.645 . . . . 0.0 111.989 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -66.03 -31.32 72.15 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.162 -0.961 . . . . 0.0 111.666 174.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -65.23 -44.95 86.56 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 122.99 0.516 . . . . 0.0 111.332 173.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -64.38 -36.93 85.75 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.516 0.598 . . . . 0.0 111.781 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -66.72 -42.03 87.0 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.557 -0.714 . . . . 0.0 111.847 174.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.74 -48.48 81.61 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.902 0.773 . . . . 0.0 111.036 173.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -59.07 -41.47 88.05 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.44 -38.86 92.5 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.382 0.673 . . . . 0.0 112.295 175.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 85.3 mmm -69.53 -39.8 77.27 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.899 -1.126 . . . . 0.0 112.657 175.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.64 -44.1 82.85 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.432 1.015 . . . . 0.0 112.008 175.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.2 m -71.92 -19.35 61.93 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 64.2 p -94.52 -2.79 51.02 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 171.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.43 26.13 66.44 Favored Glycine 0 CA--C 1.534 1.257 0 O-C-N 121.761 -0.587 . . . . 0.0 113.762 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.6 59.23 2.39 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.015 0.817 . . . . 0.0 112.976 -175.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.0 mmt-85 -133.54 101.49 5.15 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 118.123 0.961 . . . . 0.0 112.857 171.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.8 p -58.55 -38.27 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.688 0.795 . . . . 0.0 113.077 -175.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -62.08 -43.41 98.89 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 119.557 1.071 . . . . 0.0 113.22 176.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.4 mt -74.17 -35.65 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.421 0.688 . . . . 0.0 110.029 178.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.4 -46.12 77.69 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.545 -0.722 . . . . 0.0 111.748 177.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.9 pt -66.94 -36.17 76.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 119.435 1.016 . . . . 0.0 111.473 174.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.72 -43.49 90.14 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.163 0.892 . . . . 0.0 112.249 169.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -65.53 -39.06 91.36 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.307 1.043 . . . . 0.0 112.209 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.37 -31.89 70.59 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 174.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.6 mt . . . . . 0 N--CA 1.475 0.801 0 CA-C-N 119.051 0.842 . . . . 0.0 112.974 174.774 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.7 m . . . . . 0 N--CA 1.474 0.756 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -63.47 -40.58 97.49 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.259 0.936 . . . . 0.0 113.191 -172.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -67.44 -40.31 85.43 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.794 0.725 . . . . 0.0 111.728 176.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.37 -45.32 93.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.4 0.68 . . . . 0.0 109.371 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.84 -48.71 80.4 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.791 0.836 . . . . 0.0 111.661 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -57.4 -52.39 65.54 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.633 0.651 . . . . 0.0 111.567 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -69.13 -29.76 67.87 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.275 -0.89 . . . . 0.0 113.008 -176.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.5 tp -71.21 -36.17 71.78 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.171 0.896 . . . . 0.0 111.894 173.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -65.84 -38.27 88.44 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 118.757 0.708 . . . . 0.0 111.732 171.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -60.82 -53.34 58.58 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.069 0.85 . . . . 0.0 110.981 172.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . 0.409 HH21 ' CG ' ' A' ' 15' ' ' ASP . 19.2 mtt180 -59.01 -43.72 91.57 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -178.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.3 t -95.63 -33.93 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -171.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -173.605 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.1 t -79.2 -33.26 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 118.954 -0.546 . . . . 0.0 111.392 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.58 -44.93 95.67 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.543 1.065 . . . . 0.0 112.044 169.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.97 -43.03 99.9 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.565 0.746 . . . . 0.0 111.832 174.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.73 96.9 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 118.623 0.647 . . . . 0.0 111.89 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 50.8 mt -60.12 -48.58 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.458 174.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.35 -38.36 86.68 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.515 1.052 . . . . 0.0 112.905 177.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -61.54 -47.78 84.01 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.381 0.672 . . . . 0.0 111.251 174.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.47 -46.76 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-N 118.74 0.7 . . . . 0.0 110.971 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.5 tp -57.24 -45.66 83.7 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.894 1.278 . . . . 0.0 111.776 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -80.27 -33.23 37.97 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -62.13 -39.89 94.09 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.655 1.116 . . . . 0.0 111.98 170.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.8 m -82.8 -11.97 57.84 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.678 1.191 . . . . 0.0 112.462 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.2 t30 50.62 40.01 22.82 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.867 1.667 . . . . 0.0 113.412 -172.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.4 p -103.74 173.94 6.09 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.257 1.423 . . . . 0.0 112.607 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.0 t -107.05 157.06 18.12 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.39 1.076 . . . . 0.0 110.996 168.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -66.35 -34.0 76.99 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 120.428 -1.42 . . . . 0.0 113.645 -168.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -68.44 -43.77 76.37 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.501 -0.749 . . . . 0.0 111.293 174.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -59.38 -41.25 88.91 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.355 1.062 . . . . 0.0 111.52 172.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -66.15 -41.35 90.51 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.667 -0.646 . . . . 0.0 111.707 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.62 -45.96 92.07 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.313 0.961 . . . . 0.0 111.622 173.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -63.96 -37.3 86.9 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.81 92.53 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.492 0.717 . . . . 0.0 112.146 174.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 68.6 mmm -63.81 -44.25 93.84 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.485 0.714 . . . . 0.0 111.411 174.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.45 -41.52 97.34 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.868 0.758 . . . . 0.0 111.987 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 t -67.57 -32.24 72.86 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.4 p -102.05 7.06 41.3 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -175.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.8 19.34 75.71 Favored Glycine 0 CA--C 1.537 1.413 0 O-C-N 121.25 -0.906 . . . . 0.0 114.547 176.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.11 3.4 82.6 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.806 1.193 . . . . 0.0 115.498 175.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -78.33 106.94 10.59 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.105 1.453 . . . . 0.0 110.53 175.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.48 -42.09 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 123.607 0.763 . . . . 0.0 111.556 -177.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -60.37 -40.09 89.57 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.0 mt -73.71 -38.03 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.285 0.634 . . . . 0.0 110.021 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.75 -52.12 65.52 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.478 -0.764 . . . . 0.0 111.486 177.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 pt -66.9 -36.02 76.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 121.573 -0.704 . . . . 0.0 111.111 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.58 76.94 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.343 0.974 . . . . 0.0 112.967 173.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -67.28 -29.66 69.32 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.652 0.781 . . . . 0.0 112.507 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.7 mp -75.27 -38.32 60.49 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 172.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.7 mt . . . . . 0 N--CA 1.471 0.594 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 179.878 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.472 0.668 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -71.36 -39.99 70.92 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.672 -0.643 . . . . 0.0 112.304 175.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -58.95 -49.35 78.19 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.624 0.769 . . . . 0.0 111.355 174.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.2 mm -65.69 -45.33 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.204 1.002 . . . . 0.0 110.377 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 60.8 tp -58.63 -47.94 82.67 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.466 1.03 . . . . 0.0 111.871 175.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -59.43 -53.91 52.7 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.717 0.689 . . . . 0.0 110.675 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.5 ttt85 -65.66 -34.69 78.79 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.141 -0.974 . . . . 0.0 112.701 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 32.8 tp -69.32 -38.33 78.18 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.591 1.087 . . . . 0.0 111.807 176.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -64.91 -45.34 86.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.743 0.817 . . . . 0.0 111.021 176.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -68.73 -42.6 77.39 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 118.939 0.791 . . . . 0.0 111.619 177.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 31.0 ttt85 -57.41 -47.97 80.35 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.038 0.935 . . . . 0.0 112.574 177.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.7 t -90.37 -33.93 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -173.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -169.841 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 . . . . . 0 CA--C 1.543 0.685 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.7 t -71.87 -42.83 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.708 0.803 . . . . 0.0 111.305 176.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.61 -47.18 85.21 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.613 0.765 . . . . 0.0 112.107 174.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -65.58 -40.84 93.2 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.516 0.727 . . . . 0.0 112.209 175.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.67 -41.07 96.34 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.03 0.832 . . . . 0.0 111.907 177.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.3 mt -62.14 -47.59 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.843 0.857 . . . . 0.0 110.73 173.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -62.21 -40.6 96.63 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.412 1.006 . . . . 0.0 112.786 177.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -63.35 -44.33 95.13 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.511 -0.743 . . . . 0.0 111.948 175.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.1 mt -63.14 -46.02 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.063 0.545 . . . . 0.0 111.247 174.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.4 tp -55.56 -45.11 77.34 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.865 1.266 . . . . 0.0 111.743 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -72.03 -44.77 62.85 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.595 0.758 . . . . 0.0 112.902 175.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -59.32 -38.83 81.28 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.033 0.933 . . . . 0.0 112.904 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.7 p -83.49 -4.69 58.75 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.8 t30 54.18 37.17 26.61 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 124.439 1.096 . . . . 0.0 112.646 -176.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 84.9 p -113.09 174.57 5.84 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.313 1.045 . . . . 0.0 113.448 -170.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.1 t -107.95 153.05 23.63 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.983 0.913 . . . . 0.0 110.193 167.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -61.89 -28.05 69.23 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.831 -1.168 . . . . 0.0 113.069 -169.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -64.34 -38.39 90.86 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.442 -0.786 . . . . 0.0 112.347 173.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -67.49 -42.45 82.91 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.777 -0.577 . . . . 0.0 110.877 175.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -65.07 -41.88 94.67 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.802 0.441 . . . . 0.0 111.432 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.53 -47.87 81.99 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.456 -0.777 . . . . 0.0 111.973 173.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -61.64 -41.53 97.63 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 122.88 0.472 . . . . 0.0 111.981 179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.58 -47.17 79.69 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.905 0.482 . . . . 0.0 112.028 174.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 68.5 mmm -63.61 -34.09 77.06 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.05 0.841 . . . . 0.0 112.708 177.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -66.55 -40.9 89.27 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.152 -0.968 . . . . 0.0 111.472 170.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.4 t -69.02 -29.59 67.8 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.9 p -96.49 -2.79 44.51 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.71 30.8 65.73 Favored Glycine 0 CA--C 1.539 1.538 0 O-C-N 121.417 -0.802 . . . . 0.0 113.737 -177.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.61 10.91 80.84 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.42 1.01 . . . . 0.0 114.821 -178.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -77.11 90.23 3.64 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 118.972 1.386 . . . . 0.0 109.914 176.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.0 p -56.88 -37.55 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.636 0.774 . . . . 0.0 112.892 -175.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.6 ptt-85 -61.06 -41.45 96.64 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 175.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.3 mt -73.58 -37.06 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.164 0.586 . . . . 0.0 109.804 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.6 -46.27 79.99 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.337 -0.852 . . . . 0.0 111.632 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 pt -68.59 -36.08 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.619 -0.676 . . . . 0.0 111.411 175.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.01 -45.62 90.22 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.843 0.747 . . . . 0.0 112.424 171.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -64.31 -44.72 90.73 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 121.457 -0.777 . . . . 0.0 112.215 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.2 -37.15 81.94 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.402 0.681 . . . . 0.0 112.545 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.0 mt . . . . . 0 CA--C 1.541 0.606 0 CA-C-N 118.607 0.64 . . . . 0.0 112.209 175.502 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . 0.259 2.8 pp0? -72.34 -29.65 64.01 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 118.769 -0.634 . . . . 0.0 112.648 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -66.14 -48.82 69.55 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.857 1.208 . . . . 0.0 111.808 173.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 31.8 mm -61.08 -47.57 92.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 118.371 0.532 . . . . 0.0 110.17 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.29 -43.99 95.77 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.772 0.714 . . . . 0.0 112.364 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -63.05 -49.64 73.77 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.242 0.928 . . . . 0.0 111.359 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -65.46 -35.38 80.74 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.558 1.072 . . . . 0.0 112.529 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.4 tp -66.18 -39.52 89.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.326 0.65 . . . . 0.0 111.96 174.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.6 ttt85 -68.93 -42.4 76.82 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.155 0.582 . . . . 0.0 111.556 176.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -61.26 -49.77 75.72 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.602 0.637 . . . . 0.0 111.907 176.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -68.4 -36.66 79.43 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 69.0 t -76.59 -51.87 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 118.812 0.733 . . . . 0.0 111.869 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 61.1 m . . . . . 0 N--CA 1.472 0.67 0 CA-C-N 119.034 0.834 . . . . 0.0 112.149 -178.776 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 . . . . . 0 N--CA 1.473 0.691 0 N-CA-C 111.184 0.068 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.4 t -66.08 -42.02 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.234 0.614 . . . . 0.0 110.567 171.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.31 -43.66 94.02 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.639 0.776 . . . . 0.0 112.345 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.78 -41.16 97.36 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.996 0.918 . . . . 0.0 112.201 173.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.54 -43.36 97.32 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.62 0.645 . . . . 0.0 111.361 175.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.4 mt -59.19 -44.72 92.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.619 0.767 . . . . 0.0 111.215 173.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -63.98 -39.07 93.3 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.599 0.76 . . . . 0.0 112.193 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.83 -41.63 95.6 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.695 0.798 . . . . 0.0 112.237 174.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.71 -44.47 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.071 0.851 . . . . 0.0 110.666 173.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.7 tp -56.93 -43.71 81.75 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.131 0.972 . . . . 0.0 111.818 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 -70.56 -46.89 62.67 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.586 0.755 . . . . 0.0 112.555 174.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -61.03 -39.55 90.19 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.007 0.923 . . . . 0.0 112.981 -177.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.2 p -81.48 -4.15 55.07 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 176.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.3 t30 52.81 55.32 9.16 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.506 1.522 . . . . 0.0 111.928 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.7 m -124.82 165.4 18.08 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.993 0.917 . . . . 0.0 112.985 -171.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.2 p -89.5 159.32 17.3 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.517 0.727 . . . . 0.0 111.288 169.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.61 -30.79 71.56 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.717 -1.239 . . . . 0.0 112.33 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -68.1 -40.02 82.71 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.351 0.66 . . . . 0.0 111.529 172.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -63.11 -39.53 94.95 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.619 0.645 . . . . 0.0 111.723 172.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.45 -40.76 80.96 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.4 -0.812 . . . . 0.0 111.612 177.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.5 -47.45 85.46 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.462 -0.774 . . . . 0.0 111.745 171.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.66 -40.2 96.23 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 178.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.3 -42.33 88.48 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.452 0.701 . . . . 0.0 111.96 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.6 mmm -66.5 -39.95 88.96 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.238 -0.914 . . . . 0.0 111.927 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.72 -38.86 90.32 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.202 0.601 . . . . 0.0 111.784 175.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 m -73.87 -23.47 59.6 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.799 1.036 . . . . 0.0 113.799 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.7 p -106.2 1.83 26.41 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -176.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.55 27.12 71.76 Favored Glycine 0 CA--C 1.534 1.242 0 O-C-N 121.577 -0.702 . . . . 0.0 113.158 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.57 9.22 86.69 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 115.874 1.109 . . . . 0.0 115.874 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.8 mtt85 -74.7 99.7 3.77 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.031 1.915 . . . . 0.0 110.37 174.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.61 -34.34 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 CA-C-O 118.747 -0.644 . . . . 0.0 112.441 -176.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -62.22 -43.55 98.58 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 119.52 1.055 . . . . 0.0 113.699 175.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.6 mt -75.32 -35.02 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.009 0.524 . . . . 0.0 109.773 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.91 -46.97 82.45 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.303 -0.873 . . . . 0.0 111.476 175.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.0 pt -67.99 -35.51 72.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 119.871 1.214 . . . . 0.0 111.797 175.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.24 -44.45 88.31 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.586 1.085 . . . . 0.0 112.514 170.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -64.97 -44.25 89.98 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.494 1.117 . . . . 0.0 111.711 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 64.0 mt -66.85 -32.7 74.14 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.9 0.88 . . . . 0.0 112.904 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.9 mt . . . . . 0 N--CA 1.472 0.632 0 CA-C-N 119.348 0.976 . . . . 0.0 111.919 173.448 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.5 p . . . . . 0 N--CA 1.468 0.469 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -71.07 -41.78 70.24 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -171.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -68.6 -42.21 78.49 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.896 0.771 . . . . 0.0 111.766 178.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.1 mm -67.21 -44.31 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.302 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.22 -43.7 98.45 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.112 1.324 . . . . 0.0 111.419 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -58.21 -55.92 28.7 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.426 0.557 . . . . 0.0 110.976 176.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -66.82 -36.21 81.83 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.21 0.913 . . . . 0.0 112.221 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.4 -49.08 68.0 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.394 0.997 . . . . 0.0 111.625 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -65.19 -37.18 86.51 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.974 0.51 . . . . 0.0 111.381 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -66.49 -45.11 80.71 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.153 0.433 . . . . 0.0 112.125 172.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -59.91 -42.35 93.7 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.249 1.02 . . . . 0.0 112.603 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.6 t -90.04 -37.33 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -175.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -168.934 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 111.469 0.174 . . . . 0.0 111.469 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.4 t -70.09 -43.58 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.128 0.971 . . . . 0.0 110.936 176.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.92 -46.27 91.32 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.709 0.804 . . . . 0.0 112.343 175.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.93 -41.91 97.5 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.309 1.044 . . . . 0.0 111.672 176.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.33 99.08 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.663 0.665 . . . . 0.0 111.845 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.1 mt -59.47 -48.8 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.303 0.641 . . . . 0.0 110.915 174.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.19 -39.59 94.32 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.136 0.88 . . . . 0.0 112.844 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -63.44 -43.14 98.25 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.507 -0.746 . . . . 0.0 111.753 175.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.7 mt -63.14 -47.09 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.465 0.706 . . . . 0.0 110.829 173.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.7 tp -59.78 -39.96 86.66 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.347 1.059 . . . . 0.0 111.799 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -71.03 -47.4 58.8 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.282 1.033 . . . . 0.0 112.544 173.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.76 -41.07 94.74 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.127 0.971 . . . . 0.0 112.972 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.5 p -81.61 -8.91 59.77 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.993 1.108 . . . . 0.0 113.993 176.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.279 0.8 OUTLIER 48.64 32.24 3.41 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.18 1.792 . . . . 0.0 113.918 -171.759 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 87.2 p -96.31 -178.34 4.27 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.926 1.29 . . . . 0.0 112.96 -174.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.3 p -103.26 151.09 23.08 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.794 0.838 . . . . 0.0 109.632 168.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -62.5 -31.39 72.14 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.234 -0.916 . . . . 0.0 112.381 -177.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -67.84 -36.07 79.7 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.304 -0.873 . . . . 0.0 113.079 172.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -69.58 -38.92 77.55 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.076 0.853 . . . . 0.0 111.538 172.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -63.2 -43.03 99.29 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.824 -0.548 . . . . 0.0 111.243 173.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.02 -45.22 93.35 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.118 -0.989 . . . . 0.0 111.843 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.14 -40.56 96.35 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.153 0.581 . . . . 0.0 112.352 177.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.78 -43.29 84.33 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.73 -0.606 . . . . 0.0 111.878 174.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.4 mmm -62.14 -37.58 85.73 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.027 0.83 . . . . 0.0 112.305 174.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -65.0 -39.79 93.97 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.008 -1.058 . . . . 0.0 111.653 171.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.5 t -64.4 -31.73 73.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.14 0.976 . . . . 0.0 113.565 175.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.7 p -99.83 -0.34 39.95 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -177.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.37 29.41 66.19 Favored Glycine 0 CA--C 1.537 1.463 0 O-C-N 121.457 -0.777 . . . . 0.0 113.537 -176.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.1 10.96 70.64 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.814 1.197 . . . . 0.0 115.163 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.8 mmt-85 -81.29 99.39 8.61 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 119.271 1.536 . . . . 0.0 110.54 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.5 t -54.34 -45.06 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.535 1.134 . . . . 0.0 111.786 -178.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.1 ptm85 -60.06 -40.54 89.84 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.6 mt -75.71 -36.02 32.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 122.93 0.492 . . . . 0.0 109.933 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.73 -46.7 77.91 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.264 -0.898 . . . . 0.0 111.56 178.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.7 pt -67.48 -35.41 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 118.538 -0.744 . . . . 0.0 111.143 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.47 -45.36 91.85 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.354 0.979 . . . . 0.0 112.982 171.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -68.15 -31.71 71.48 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.2 -44.38 75.96 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.412 0.685 . . . . 0.0 111.883 170.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 179.433 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.4 p . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -70.16 -36.98 75.09 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.342 0.657 . . . . 0.0 112.566 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -77.27 -34.75 55.62 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.464 -0.773 . . . . 0.0 111.943 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.6 mm -59.39 -48.19 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.747 0.819 . . . . 0.0 109.47 169.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.4 tp -60.98 -45.27 95.46 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.579 0.627 . . . . 0.0 112.05 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -58.55 -50.42 73.84 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.032 0.833 . . . . 0.0 112.101 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 51.0 ttm-85 -71.87 -32.07 67.1 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 121.299 -0.876 . . . . 0.0 112.868 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.5 tp -66.66 -38.93 87.87 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.508 0.594 . . . . 0.0 111.534 171.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.0 ttp85 -68.45 -39.3 81.54 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.267 1.027 . . . . 0.0 111.371 176.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -61.06 -50.79 71.88 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.277 0.944 . . . . 0.0 111.142 171.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -63.1 -37.29 86.61 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 70.0 t -88.4 -44.83 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.608 0.763 . . . . 0.0 112.895 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.471 0.593 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -169.101 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.2 t -71.53 -41.17 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 O-C-N 121.579 -0.7 . . . . 0.0 111.251 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.46 -43.37 98.98 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.165 0.986 . . . . 0.0 112.765 174.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -65.97 -40.19 91.04 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.244 1.018 . . . . 0.0 112.078 173.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.65 -38.7 91.9 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.798 -0.564 . . . . 0.0 111.452 176.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.0 mt -59.06 -49.06 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.71 0.804 . . . . 0.0 110.852 170.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.64 -39.42 93.78 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.502 1.046 . . . . 0.0 112.699 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -64.52 -44.92 89.35 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.697 0.799 . . . . 0.0 112.259 175.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.4 mt -60.63 -48.34 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 123.014 0.525 . . . . 0.0 110.125 173.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.83 -37.0 82.81 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.239 1.015 . . . . 0.0 112.533 -177.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -66.0 -43.15 88.57 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.809 0.844 . . . . 0.0 111.961 170.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -68.37 -39.94 81.6 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.6 p -74.8 -18.78 60.41 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.013 -1.054 . . . . 0.0 113.622 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 53.18 26.79 5.31 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.962 1.305 . . . . 0.0 113.922 -172.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.6 p -98.68 178.76 4.89 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.934 1.293 . . . . 0.0 111.947 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.1 p -87.65 160.99 17.93 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.505 -0.747 . . . . 0.0 110.482 168.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -65.88 -34.32 77.85 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.052 -1.03 . . . . 0.0 111.902 176.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -68.51 -35.87 78.09 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.36 -0.837 . . . . 0.0 112.747 172.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -64.93 -39.17 93.1 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.132 0.878 . . . . 0.0 111.46 170.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -66.28 -43.44 86.4 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.714 -0.616 . . . . 0.0 111.689 175.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.37 -45.05 96.02 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.852 0.751 . . . . 0.0 111.562 174.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -61.24 -41.5 97.0 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.331 0.653 . . . . 0.0 112.245 175.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.51 96.76 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.213 0.605 . . . . 0.0 112.116 176.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 60.1 mtp -64.4 -42.6 96.0 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.627 1.103 . . . . 0.0 111.924 173.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -64.5 -41.19 96.58 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.187 0.903 . . . . 0.0 112.701 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.4 m -75.79 -23.46 55.88 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.1 p -96.61 2.64 52.45 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.92 19.99 56.57 Favored Glycine 0 N--CA 1.476 1.321 0 O-C-N 121.5 -0.75 . . . . 0.0 114.235 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.62 -1.38 78.68 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.639 1.114 . . . . 0.0 115.622 175.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -76.36 115.29 15.96 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.577 1.689 . . . . 0.0 111.434 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.49 -37.72 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 O-C-N 121.778 -0.576 . . . . 0.0 111.909 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -62.09 -42.96 99.74 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.7 mm -75.2 -35.44 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 122.857 0.463 . . . . 0.0 109.972 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.32 -48.91 73.8 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.705 -0.622 . . . . 0.0 111.891 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.9 pt -67.03 -37.22 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.43 -0.794 . . . . 0.0 111.197 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.2 -46.25 86.16 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.303 0.956 . . . . 0.0 112.355 172.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -65.83 -38.29 88.51 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 121.187 -0.945 . . . . 0.0 112.81 177.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.4 mt -68.83 -34.56 75.7 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 176.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.2 mt . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -179.192 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -71.2 -37.18 72.11 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.562 0.619 . . . . 0.0 112.277 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -66.35 -47.59 72.95 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 118.636 0.653 . . . . 0.0 111.865 175.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.5 mm -60.02 -45.65 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.716 0.806 . . . . 0.0 110.296 174.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.24 -46.41 89.89 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.529 1.058 . . . . 0.0 112.182 176.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.89 -52.59 64.76 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.875 0.761 . . . . 0.0 111.216 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -67.55 -34.6 77.41 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 118.715 -0.659 . . . . 0.0 112.685 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.9 tp -68.9 -42.52 76.77 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.657 1.117 . . . . 0.0 111.413 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -65.65 -43.01 90.75 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.903 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -65.76 -45.0 84.18 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 176.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 57.8 mtp85 -57.03 -42.74 81.02 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.657 0.783 . . . . 0.0 112.491 174.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.4 t -82.28 -36.73 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.749 0.82 . . . . 0.0 112.279 -175.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 CA--C 1.54 0.568 0 CA-C-N 119.24 0.927 . . . . 0.0 111.906 178.824 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.1 t -66.11 -40.63 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.327 0.651 . . . . 0.0 110.737 170.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.32 -40.89 90.22 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.179 -0.95 . . . . 0.0 113.361 173.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -60.89 -38.88 87.2 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.379 -0.826 . . . . 0.0 111.644 170.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.79 94.37 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.173 0.897 . . . . 0.0 111.356 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.3 mt -56.81 -47.62 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 118.485 0.584 . . . . 0.0 111.113 169.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -65.87 -36.06 82.38 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.692 1.133 . . . . 0.0 113.579 176.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -63.68 -44.43 93.76 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.312 -0.867 . . . . 0.0 111.043 175.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.6 mt -62.58 -44.79 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.261 0.624 . . . . 0.0 111.033 172.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.1 tp -58.35 -42.17 86.29 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.802 0.841 . . . . 0.0 111.903 178.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.2 tpt85 -73.31 -38.06 65.98 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.043 0.937 . . . . 0.0 113.209 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -68.94 -39.96 79.27 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.858 0.863 . . . . 0.0 112.426 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.4 p -76.37 -14.88 60.06 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 172.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.3 t30 51.02 40.38 25.36 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.805 1.642 . . . . 0.0 112.723 -176.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 t -121.7 -174.64 2.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.225 1.01 . . . . 0.0 112.94 -171.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.1 t -99.23 150.86 21.65 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.739 1.216 . . . . 0.0 111.975 176.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.79 -33.14 73.58 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.244 1.018 . . . . 0.0 111.974 -173.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -63.58 -41.36 98.37 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.27 0.628 . . . . 0.0 111.593 175.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -70.8 -37.11 73.25 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.365 0.666 . . . . 0.0 111.733 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -63.24 -44.53 94.96 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.714 -0.616 . . . . 0.0 111.585 170.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.6 -45.11 95.48 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.874 0.761 . . . . 0.0 111.896 175.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -64.46 -37.46 87.6 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.54 -37.03 79.61 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.528 -0.733 . . . . 0.0 112.192 173.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.6 mmm -66.5 -43.11 86.21 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.175 -0.953 . . . . 0.0 111.748 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -66.01 -37.14 85.16 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.613 1.097 . . . . 0.0 112.118 174.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -63.63 -29.63 70.85 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.628 1.171 . . . . 0.0 113.3 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.6 p -105.24 -0.35 26.46 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -175.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.17 27.99 67.19 Favored Glycine 0 CA--C 1.536 1.401 0 O-C-N 121.515 -0.741 . . . . 0.0 113.745 -178.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.18 17.05 65.66 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.348 0.975 . . . . 0.0 114.865 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -83.17 94.44 7.86 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.271 1.535 . . . . 0.0 109.727 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.0 t -51.25 -44.57 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 124.22 1.008 . . . . 0.0 111.614 -176.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -59.95 -41.99 93.09 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.4 mt -75.3 -37.3 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.243 0.617 . . . . 0.0 109.71 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.48 -48.68 76.65 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.132 -0.98 . . . . 0.0 111.394 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.2 pt -68.44 -34.61 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 O-C-N 121.392 -0.817 . . . . 0.0 111.276 177.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.91 94.79 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 119.228 0.922 . . . . 0.0 112.604 170.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -65.65 -41.19 92.87 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.39 -0.819 . . . . 0.0 112.292 175.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.85 -45.53 94.14 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.385 0.993 . . . . 0.0 112.115 173.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 CA--C 1.542 0.65 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.869 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.3 p . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -71.04 -34.48 71.3 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -177.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -75.47 -38.74 59.42 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.856 -1.152 . . . . 0.0 112.472 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.9 mm -60.31 -46.23 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 118.495 0.589 . . . . 0.0 109.451 169.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.69 -50.61 73.19 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.954 0.797 . . . . 0.0 112.499 175.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -61.68 -47.5 85.04 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.493 1.042 . . . . 0.0 111.5 -176.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.2 ttt-85 -68.99 -34.16 74.84 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 118.387 -0.816 . . . . 0.0 112.18 178.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.4 tp -67.16 -40.79 86.71 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.407 1.003 . . . . 0.0 111.847 173.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 36.8 ttt-85 -69.7 -40.68 76.18 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.776 0.83 . . . . 0.0 110.96 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -62.35 -53.14 59.4 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.961 0.504 . . . . 0.0 111.917 170.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -59.68 -32.97 70.98 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.878 1.271 . . . . 0.0 113.006 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 79.8 t -85.62 -38.49 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.149 0.979 . . . . 0.0 113.145 175.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.3 m . . . . . 0 N--CA 1.477 0.921 0 CA-C-N 119.19 0.904 . . . . 0.0 112.786 -178.114 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.4 m . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.0 m -133.3 157.65 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 125.702 1.601 . . . . 0.0 111.873 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 m -67.25 149.73 50.01 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.201 1.001 . . . . 0.0 113.058 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.98 157.52 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.123 0.969 . . . . 0.0 112.475 175.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.4 mt -74.57 141.97 44.73 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.374 0.67 . . . . 0.0 111.362 173.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -145.5 99.12 3.24 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.096 1.358 . . . . 0.0 111.003 -176.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.5 m -73.96 147.81 42.71 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.116 0.966 . . . . 0.0 111.581 175.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 87.7 p -82.37 165.18 20.53 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.571 1.148 . . . . 0.0 113.145 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.7 p -130.96 23.51 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 125.204 1.402 . . . . 0.0 112.459 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -63.78 -20.72 65.99 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.274 -1.516 . . . . 0.0 114.436 -169.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -61.37 -28.89 69.56 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.586 -1.321 . . . . 0.0 113.279 170.547 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -71.25 -35.91 71.59 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 119.578 1.081 . . . . 0.0 112.511 171.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -69.37 -38.16 77.91 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 122.971 0.508 . . . . 0.0 111.15 176.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.8 t -67.73 -41.04 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 121.516 -0.74 . . . . 0.0 111.575 171.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.26 -41.75 97.46 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.512 -0.743 . . . . 0.0 112.298 172.477 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.41 -40.99 98.33 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.188 -0.945 . . . . 0.0 111.97 172.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.22 -41.68 94.18 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 121.704 -0.623 . . . . 0.0 111.738 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.5 mt -57.97 -48.14 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.877 0.871 . . . . 0.0 110.596 170.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.7 -40.97 89.67 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.492 0.717 . . . . 0.0 112.14 178.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -66.42 -31.46 72.23 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 173.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.4 mt -66.05 -40.96 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 119.627 1.103 . . . . 0.0 111.203 169.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.13 -44.41 94.95 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 120.128 1.331 . . . . 0.0 111.19 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -61.4 -45.16 95.51 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.541 1.536 . . . . 0.0 112.373 176.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -68.12 -40.33 82.55 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.316 1.046 . . . . 0.0 113.033 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.3 p -91.22 -2.31 57.51 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.0 t30 52.86 53.99 11.21 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.47 1.508 . . . . 0.0 112.083 -175.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.4 p -136.4 178.3 7.17 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.435 1.094 . . . . 0.0 113.772 -169.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.2 p -101.85 162.06 13.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.534 1.134 . . . . 0.0 111.455 169.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -61.92 -31.25 71.55 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 120.901 -1.125 . . . . 0.0 112.304 171.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -63.99 -45.78 87.51 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.19 0.905 . . . . 0.0 111.058 173.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -64.36 -39.17 93.34 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.085 0.554 . . . . 0.0 111.747 176.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -69.12 -38.56 78.94 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.708 -0.62 . . . . 0.0 112.378 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.83 -45.05 95.48 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.439 1.018 . . . . 0.0 110.958 173.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.66 -39.51 94.52 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 175.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.19 -41.21 94.8 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.795 -0.566 . . . . 0.0 112.06 174.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 66.9 mmm -65.35 -42.35 92.94 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.41 -0.807 . . . . 0.0 111.985 174.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -63.64 -39.22 93.81 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.359 0.664 . . . . 0.0 111.623 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 t -71.01 -29.5 65.47 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.178 0.991 . . . . 0.0 113.462 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.9 p -104.88 6.14 33.51 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -174.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.57 23.39 70.36 Favored Glycine 0 CA--C 1.537 1.439 0 O-C-N 121.28 -0.888 . . . . 0.0 114.711 176.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.13 7.14 87.36 Favored Glycine 0 CA--C 1.534 1.277 0 N-CA-C 115.769 1.067 . . . . 0.0 115.769 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -78.15 102.13 7.39 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.106 1.453 . . . . 0.0 110.186 174.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.6 t -52.63 -41.91 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.755 0.822 . . . . 0.0 111.872 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -60.88 -42.13 97.33 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 41.2 mt -74.53 -38.04 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.138 0.575 . . . . 0.0 109.524 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.12 -50.14 73.1 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.43 0.692 . . . . 0.0 111.448 177.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.7 pt -68.25 -34.84 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.518 -0.739 . . . . 0.0 111.407 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.56 -48.24 82.67 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.05 0.841 . . . . 0.0 112.909 172.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -68.05 -37.04 80.87 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.235 -0.916 . . . . 0.0 112.092 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.0 tp -68.69 -29.59 68.07 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.396 1.079 . . . . 0.0 112.692 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.0 mt -76.74 -51.51 11.31 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.082 0.953 . . . . 0.0 112.063 169.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.7 m -85.23 14.82 4.78 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 -170.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -58.6 -24.49 61.05 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.573 1.549 . . . . 0.0 114.934 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -143.09 134.01 25.49 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.686 1.595 . . . . 0.0 110.026 172.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.2 p -144.52 165.47 27.9 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.8 1.24 . . . . 0.0 112.977 -175.39 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.7 m -66.31 -22.64 66.29 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.684 1.594 . . . . 0.0 114.7 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.97 -173.07 45.69 Favored Glycine 0 CA--C 1.54 1.633 0 C-N-CA 124.595 1.093 . . . . 0.0 114.487 -176.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 174.68 171.41 38.83 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.594 1.092 . . . . 0.0 113.551 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.8 m -75.8 -18.39 59.52 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -175.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 173.31 177.61 42.68 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.031 1.301 . . . . 0.0 113.537 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -73.15 159.77 53.62 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 124.24 0.924 . . . . 0.0 113.955 176.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.9 p -79.7 157.67 27.14 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.848 1.259 . . . . 0.0 113.127 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -71.8 133.54 45.59 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.351 1.06 . . . . 0.0 110.908 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.8 mt -134.23 155.03 50.87 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.987 1.715 . . . . 0.0 111.419 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 174.1 175.27 41.6 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.804 1.192 . . . . 0.0 113.324 178.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.42 170.64 40.02 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.422 1.011 . . . . 0.0 113.885 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.0 m -72.27 153.58 41.47 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.64 1.176 . . . . 0.0 112.972 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.78 163.13 52.17 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.079 0.847 . . . . 0.0 113.842 173.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.11 -167.43 38.14 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.361 0.981 . . . . 0.0 113.903 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.9 p -77.51 175.16 10.09 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.059 1.343 . . . . 0.0 112.933 177.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.3 mtp-105 -67.1 -19.76 65.69 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 114.457 1.281 . . . . 0.0 114.457 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . 0.332 0.0 OUTLIER 46.11 35.43 2.54 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 127.528 2.331 . . . . 0.0 114.995 -174.589 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -86.23 -12.38 49.83 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.272 1.429 . . . . 0.0 114.21 -169.522 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.5 mt 59.97 -178.41 0.09 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 126.87 2.068 . . . . 0.0 114.305 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.7 m -64.61 147.75 52.3 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.846 1.258 . . . . 0.0 113.073 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.9 p -78.0 -24.57 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -177.066 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -73.51 149.64 42.13 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.618 1.167 . . . . 0.0 112.389 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 175.87 -164.88 35.22 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.923 1.249 . . . . 0.0 113.319 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 45.2 tpp -139.54 145.36 38.57 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.136 1.374 . . . . 0.0 111.583 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 mp -84.99 150.13 25.11 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.567 1.147 . . . . 0.0 112.105 -176.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -149.12 165.48 31.65 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.749 1.62 . . . . 0.0 110.958 174.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.8 144.29 56.95 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.793 0.837 . . . . 0.0 112.998 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.9 m -83.05 -8.37 59.55 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -174.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . 0.294 1.5 p30 55.8 -25.6 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 129.9 3.28 . . . . 0.0 117.694 -173.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.5 p -50.36 -42.7 53.56 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.534 1.934 . . . . 0.0 113.009 173.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -70.67 -34.82 72.42 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.421 0.688 . . . . 0.0 112.566 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -68.85 -44.35 73.56 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.501 -0.749 . . . . 0.0 111.439 175.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.75 -49.23 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.118 0.567 . . . . 0.0 109.58 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.16 -42.25 94.53 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.825 0.739 . . . . 0.0 112.599 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -60.81 -50.34 73.82 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.46 1.027 . . . . 0.0 111.761 175.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -68.04 -34.4 76.39 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.903 0.774 . . . . 0.0 112.434 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 69.1 tp -66.97 -45.25 78.28 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.128 0.971 . . . . 0.0 112.022 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.1 ttm-85 -69.84 -37.49 76.17 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-O 118.423 -0.799 . . . . 0.0 111.206 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -69.74 -40.02 76.42 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.604 1.093 . . . . 0.0 112.108 174.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -60.66 -40.52 92.36 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-N 119.305 0.957 . . . . 0.0 112.597 172.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.5 t -79.91 -45.25 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.0 t -79.64 -34.09 40.78 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.342 0.657 . . . . 0.0 112.481 -172.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -150.55 27.17 1.07 Allowed Glycine 0 CA--C 1.534 1.261 0 N-CA-C 115.351 0.9 . . . . 0.0 115.351 -173.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.1 m 54.67 21.37 3.43 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 175.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.5 m 54.66 27.47 8.69 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 122.217 1.008 . . . . 0.0 112.845 -170.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.11 157.55 35.81 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.13 -1.606 . . . . 0.0 112.883 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.2 pm0 -73.34 -15.89 61.37 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -177.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.3 t -150.88 152.19 33.31 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.569 1.547 . . . . 0.0 110.885 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.238 0 C-N-CA 125.891 1.676 . . . . 0.0 111.925 179.738 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.6 m -90.85 -12.82 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 m -67.52 149.86 49.6 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.534 1.134 . . . . 0.0 113.321 -176.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.12 136.68 24.55 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.281 1.033 . . . . 0.0 109.368 177.096 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.2 tp -74.65 -34.55 62.75 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -173.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -78.15 149.76 33.72 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.748 1.219 . . . . 0.0 112.208 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.1 m -87.14 -11.24 50.62 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.7 p -77.75 156.6 30.47 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.241 1.416 . . . . 0.0 113.442 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.8 t -88.35 139.2 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.687 1.195 . . . . 0.0 110.542 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -70.62 122.07 19.07 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.662 0.785 . . . . 0.0 110.711 176.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -64.73 -25.12 67.79 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.028 -1.045 . . . . 0.0 113.64 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -33.46 74.5 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 121.201 -0.937 . . . . 0.0 111.562 170.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -72.51 -33.81 67.16 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.732 0.813 . . . . 0.0 111.567 174.108 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.71 -41.15 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 O-C-N 121.487 -0.758 . . . . 0.0 110.693 169.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -65.62 -36.9 85.05 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.416 -0.802 . . . . 0.0 112.506 172.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -64.33 -40.26 95.54 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.06 -1.025 . . . . 0.0 111.819 172.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.57 -39.97 95.77 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.567 -0.708 . . . . 0.0 111.455 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.5 mt -58.71 -45.96 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.671 0.788 . . . . 0.0 111.044 169.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.58 -36.67 84.44 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.153 0.888 . . . . 0.0 112.438 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -65.59 -44.81 85.48 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.211 -0.931 . . . . 0.0 111.605 173.729 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 36.4 mt -60.81 -44.18 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 121.61 -0.681 . . . . 0.0 111.07 172.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.2 tp -60.16 -41.73 93.43 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.597 1.159 . . . . 0.0 111.989 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -73.85 -40.34 63.34 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.926 0.89 . . . . 0.0 112.854 175.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -62.09 -40.48 95.99 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.212 1.005 . . . . 0.0 112.63 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 77.2 p -80.17 -7.82 59.13 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 173.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.9 t30 50.85 44.53 28.1 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.015 1.726 . . . . 0.0 112.747 -176.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 t -118.34 -175.64 2.91 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -169.7 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.0 t -113.33 144.87 42.02 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.55 1.54 . . . . 0.0 110.088 171.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -66.17 -23.46 66.46 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 120.346 -1.471 . . . . 0.0 113.592 -171.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -65.1 -32.31 73.94 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 120.153 1.342 . . . . 0.0 112.852 169.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -73.1 -34.79 66.39 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.279 -0.888 . . . . 0.0 111.855 170.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -64.74 -37.55 87.99 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.719 0.69 . . . . 0.0 111.393 171.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.26 -47.71 83.14 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.023 -1.048 . . . . 0.0 111.754 170.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.99 -39.46 94.79 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.74 -43.65 79.43 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.726 0.81 . . . . 0.0 112.039 175.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.2 mmm -65.34 -41.51 93.83 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.137 -0.977 . . . . 0.0 111.65 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -71.51 -29.92 65.35 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.248 -0.907 . . . . 0.0 111.933 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.7 m -73.44 -24.42 60.23 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 172.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.1 p -110.35 4.5 20.78 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 -174.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.89 24.94 70.65 Favored Glycine 0 CA--C 1.533 1.213 0 O-C-N 121.384 -0.822 . . . . 0.0 113.829 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.02 9.55 86.55 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 115.877 1.111 . . . . 0.0 115.877 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.9 mmt-85 -73.99 104.19 4.75 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.104 1.452 . . . . 0.0 110.251 175.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.4 p -58.7 -38.03 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-N 118.626 0.648 . . . . 0.0 112.297 -174.206 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -61.73 -42.5 99.05 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 177.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.6 mt -75.04 -35.63 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.001 0.52 . . . . 0.0 109.987 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.35 -45.87 82.46 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.232 -0.917 . . . . 0.0 111.853 176.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.1 pt -68.16 -34.82 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 O-C-N 121.198 -0.939 . . . . 0.0 111.39 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.95 93.22 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.087 0.858 . . . . 0.0 112.539 170.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -67.01 -40.19 87.23 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 121.095 -1.003 . . . . 0.0 112.836 176.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.86 -42.61 99.25 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.152 0.581 . . . . 0.0 111.985 174.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.3 mt -70.2 -32.76 70.81 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.205 0.602 . . . . 0.0 112.602 175.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 72.1 m -64.59 -21.65 66.76 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -85.91 -5.86 59.16 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 174.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -84.62 162.05 19.91 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.174 0.99 . . . . 0.0 111.461 173.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 p -71.65 -33.7 69.11 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.5 t 62.29 150.57 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.426 2.29 . . . . 0.0 116.118 -177.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.74 -7.87 74.24 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 124.759 1.171 . . . . 0.0 114.18 169.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.05 168.58 54.8 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 124.879 1.228 . . . . 0.0 115.147 -177.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.1 m -135.56 155.83 49.85 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.1 1.76 . . . . 0.0 111.766 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.57 148.31 49.53 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.02 0.819 . . . . 0.0 113.54 177.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.13 -16.62 79.48 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.288 0.947 . . . . 0.0 115.446 -175.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.4 t 57.23 -173.95 0.08 Allowed 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.985 1.714 . . . . 0.0 114.184 -173.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -70.61 159.34 34.57 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.045 1.338 . . . . 0.0 113.211 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 91.6 mt -122.46 1.38 9.55 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 178.45 -159.78 25.32 Favored Glycine 0 CA--C 1.533 1.181 0 CA-C-N 119.351 0.978 . . . . 0.0 114.878 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.51 -171.94 42.38 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 125.184 1.373 . . . . 0.0 114.332 175.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.4 p -74.9 163.12 27.99 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.88 1.272 . . . . 0.0 113.063 176.606 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.28 -164.15 54.21 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 124.153 0.882 . . . . 0.0 114.053 -177.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.23 17.94 79.02 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.046 0.832 . . . . 0.0 115.029 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 91.3 p -73.75 -7.37 51.85 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -171.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -74.8 -11.51 60.17 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.093 1.357 . . . . 0.0 113.981 -175.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -137.49 160.42 39.18 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.534 1.933 . . . . 0.0 112.07 176.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -150.1 152.23 34.43 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.17 1.388 . . . . 0.0 111.527 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.28 -38.74 71.61 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.264 1.025 . . . . 0.0 112.261 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.8 m -97.34 21.75 9.64 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.307 1.443 . . . . 0.0 113.828 -176.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.9 p -68.41 -26.41 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 121.14 -0.975 . . . . 0.0 113.387 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -75.05 151.49 38.69 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.778 1.231 . . . . 0.0 112.151 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.92 154.67 53.1 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.173 0.892 . . . . 0.0 114.033 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 45.8 tpp -147.42 150.13 34.04 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.344 1.458 . . . . 0.0 111.286 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.1 mt -130.95 156.43 45.1 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.61 1.564 . . . . 0.0 112.053 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -145.06 161.97 38.12 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.894 1.678 . . . . 0.0 111.699 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -148.49 132.79 17.47 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.027 1.331 . . . . 0.0 110.959 174.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.0 t -157.23 172.57 18.39 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.569 1.148 . . . . 0.0 111.945 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.91 26.91 0.19 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.857 2.063 . . . . 0.0 114.353 -177.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.7 m -45.89 -47.95 16.13 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -171.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -71.23 -39.4 71.71 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.14 0.882 . . . . 0.0 113.014 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -70.23 -43.12 71.26 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.062 0.945 . . . . 0.0 111.817 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.3 mm -60.35 -47.51 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.217 1.007 . . . . 0.0 110.09 170.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 45.3 tp -56.56 -46.94 80.44 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 120.04 1.291 . . . . 0.0 111.611 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -57.87 -56.6 19.84 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.6 0.636 . . . . 0.0 111.004 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.6 tpp85 -69.12 -28.17 66.22 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 121.006 -1.059 . . . . 0.0 112.942 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.56 -47.34 70.09 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 120.965 -1.085 . . . . 0.0 111.0 175.583 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -61.47 -40.8 95.83 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 118.876 -0.583 . . . . 0.0 111.535 174.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -61.35 -47.78 84.31 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.239 0.927 . . . . 0.0 112.171 174.738 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -57.87 -46.26 85.13 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.007 0.923 . . . . 0.0 111.748 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.3 t -81.72 -38.38 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 122.999 0.52 . . . . 0.0 112.282 -172.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 69.1 m -74.21 -22.22 59.46 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.668 0.667 . . . . 0.0 112.486 173.395 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.38 10.21 48.59 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.296 1.427 . . . . 0.0 115.381 170.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.8 p -79.21 -0.42 31.95 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.5 p -69.59 -21.45 63.59 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.371 1.069 . . . . 0.0 113.128 169.488 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.77 141.35 53.4 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.008 0.923 . . . . 0.0 112.296 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -89.48 -13.86 36.56 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -175.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 55.8 m -137.78 153.09 49.72 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.437 1.495 . . . . 0.0 112.212 -176.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.019 1.328 . . . . 0.0 112.888 176.004 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.1 m -97.13 -10.74 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -175.331 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -73.42 154.24 40.07 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.712 0.805 . . . . 0.0 112.567 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.8 154.16 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 125.032 1.333 . . . . 0.0 113.111 -177.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.1 mt -90.61 162.24 15.06 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.872 1.269 . . . . 0.0 112.069 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -71.62 -21.98 61.77 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.372 1.069 . . . . 0.0 113.726 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.3 m -135.25 155.13 51.15 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.147 1.779 . . . . 0.0 111.532 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.3 t -143.95 153.76 42.6 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.776 1.23 . . . . 0.0 112.478 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.5 m -117.39 11.41 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.812 1.645 . . . . 0.0 113.309 177.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -46.39 -43.22 16.09 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.774 1.63 . . . . 0.0 114.209 -173.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -70.51 -16.22 62.87 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -173.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.76 -40.71 98.12 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 119.64 1.109 . . . . 0.0 111.86 170.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.04 -32.86 69.72 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.138 0.575 . . . . 0.0 111.574 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.1 t -70.0 -42.95 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 123.258 0.623 . . . . 0.0 111.222 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.65 -43.67 98.42 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.911 0.885 . . . . 0.0 111.573 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -61.26 -42.99 99.58 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.952 0.901 . . . . 0.0 112.283 172.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.03 91.32 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.074 0.852 . . . . 0.0 111.978 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.6 mt -59.46 -47.89 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.701 0.8 . . . . 0.0 110.76 171.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.96 -34.35 77.57 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.822 0.737 . . . . 0.0 112.777 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -64.29 -41.88 96.66 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.095 -1.003 . . . . 0.0 111.988 173.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.4 mt -64.25 -44.0 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 118.718 0.69 . . . . 0.0 111.229 172.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.4 tp -57.6 -43.27 84.54 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.55 1.14 . . . . 0.0 111.654 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 tpp85 -71.44 -46.67 59.44 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.341 1.056 . . . . 0.0 112.404 176.074 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -59.68 -44.18 93.73 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.623 1.169 . . . . 0.0 112.836 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.3 p -83.13 -7.15 59.67 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.5 t30 54.1 59.34 4.29 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.311 1.444 . . . . 0.0 111.554 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.0 m -124.94 158.68 32.99 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -173.201 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.7 p -83.67 160.4 21.34 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.41 0.624 . . . . 0.0 110.024 168.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -66.17 -33.35 75.56 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 120.682 -1.261 . . . . 0.0 112.247 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -67.72 -35.52 78.92 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 118.798 -0.62 . . . . 0.0 112.586 171.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -64.62 -43.84 92.44 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.504 1.047 . . . . 0.0 111.672 172.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.75 -40.83 75.9 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.485 -0.76 . . . . 0.0 111.903 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -59.42 -48.1 82.92 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.72 -0.613 . . . . 0.0 111.059 172.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -61.47 -42.69 99.17 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.59 -36.71 84.71 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.688 -0.632 . . . . 0.0 112.2 175.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.8 mmm -73.32 -38.44 65.8 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.282 -0.886 . . . . 0.0 112.911 176.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -65.27 -40.87 94.49 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.399 1.0 . . . . 0.0 112.131 172.062 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.5 t -67.69 -22.04 65.3 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.174 0.99 . . . . 0.0 113.646 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.9 p -109.93 1.36 19.08 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.08 29.35 72.3 Favored Glycine 0 CA--C 1.537 1.454 0 O-C-N 121.465 -0.772 . . . . 0.0 113.899 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.9 12.73 79.22 Favored Glycine 0 N--CA 1.472 1.041 0 N-CA-C 115.551 0.98 . . . . 0.0 115.551 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -78.08 91.75 4.32 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 119.268 1.534 . . . . 0.0 109.628 175.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.7 t -53.31 -39.56 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.729 0.812 . . . . 0.0 111.907 -175.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.3 ptm85 -61.77 -41.98 98.4 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.474 1.033 . . . . 0.0 113.402 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.3 mt -75.33 -36.27 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 123.138 0.575 . . . . 0.0 109.83 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.72 -49.49 74.87 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.343 -0.848 . . . . 0.0 111.358 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.9 pt -66.55 -35.65 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 119.136 0.88 . . . . 0.0 111.544 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.48 -46.84 83.24 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.413 1.006 . . . . 0.0 112.223 170.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -66.57 -32.72 74.24 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.3 mt -72.06 -27.72 62.87 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 172.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.5 mt -81.04 -35.57 31.65 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.713 0.805 . . . . 0.0 112.704 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 87.1 p -85.06 14.76 4.65 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.202 1.401 . . . . 0.0 114.373 174.127 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -63.35 -20.32 65.41 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 127.797 2.439 . . . . 0.0 114.634 -176.001 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 60.81 45.46 9.84 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.999 1.72 . . . . 0.0 113.981 173.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.1 p -113.45 16.58 18.82 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 126.003 1.721 . . . . 0.0 113.759 -177.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.6 t -141.52 164.28 30.64 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.182 1.393 . . . . 0.0 112.481 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.73 13.45 61.23 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.264 1.411 . . . . 0.0 115.82 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.98 15.1 69.01 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-N 118.245 1.023 . . . . 0.0 114.557 -173.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.5 t -71.47 148.75 46.52 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 118.364 1.082 . . . . 0.0 112.66 -176.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -170.87 152.64 19.03 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.972 1.272 . . . . 0.0 112.725 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.45 174.84 29.31 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 124.467 1.032 . . . . 0.0 114.622 -175.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.8 t -151.09 157.06 42.29 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.145 1.378 . . . . 0.0 112.086 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.52 163.59 34.24 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.089 1.755 . . . . 0.0 112.576 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 91.1 mt -72.84 150.38 42.75 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.253 1.021 . . . . 0.0 112.35 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 174.76 -168.65 41.37 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.54 1.067 . . . . 0.0 113.756 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.09 -167.65 54.88 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.466 1.031 . . . . 0.0 114.489 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.6 p -145.63 161.72 39.18 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.472 1.509 . . . . 0.0 112.767 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -80.02 -168.9 38.29 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 124.974 1.273 . . . . 0.0 114.786 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.99 7.0 81.42 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.694 1.14 . . . . 0.0 115.607 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.6 m -63.6 -17.2 62.63 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 -174.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -83.93 0.22 48.76 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.597 1.559 . . . . 0.0 114.342 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -62.58 159.61 15.54 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.906 1.282 . . . . 0.0 113.63 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -66.88 136.51 55.5 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.125 0.97 . . . . 0.0 112.225 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.6 mt -139.8 147.98 41.54 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.38 1.472 . . . . 0.0 111.695 -177.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.6 m -71.06 -10.39 59.67 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -176.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.3 p -72.16 -14.67 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 125.185 1.394 . . . . 0.0 113.501 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -61.48 153.05 28.33 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.078 1.351 . . . . 0.0 113.662 -178.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 171.66 -172.31 44.54 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.945 1.26 . . . . 0.0 113.185 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 66.3 mtt -71.9 147.86 46.66 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.735 0.814 . . . . 0.0 111.748 175.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.4 mt -134.62 159.88 39.85 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.479 1.511 . . . . 0.0 111.917 -177.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -73.54 163.88 27.42 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.469 1.108 . . . . 0.0 112.896 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -136.55 159.76 40.81 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.972 1.309 . . . . 0.0 111.619 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.0 m 59.21 -12.13 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 127.957 2.503 . . . . 0.0 117.03 -176.06 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -61.28 -34.23 74.85 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 120.616 -1.303 . . . . 0.0 112.53 177.313 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.0 p -54.87 -46.8 74.78 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.158 1.383 . . . . 0.0 112.173 170.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -70.8 -34.03 71.33 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.718 0.807 . . . . 0.0 111.728 177.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.62 -48.25 70.09 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.444 0.698 . . . . 0.0 111.734 177.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 49.9 mm -64.07 -43.65 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 121.601 -0.687 . . . . 0.0 110.544 174.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.42 -43.79 92.99 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 118.92 0.782 . . . . 0.0 111.762 177.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -61.53 -46.02 91.71 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.49 0.716 . . . . 0.0 111.667 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -65.61 -36.97 85.27 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.247 -0.908 . . . . 0.0 112.368 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 22.8 tp -69.93 -39.23 76.25 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.057 0.543 . . . . 0.0 112.129 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -60.05 -44.28 94.78 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.243 0.929 . . . . 0.0 110.988 173.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -63.57 -49.91 71.56 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 122.108 -0.37 . . . . 0.0 111.899 175.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -60.56 -42.67 97.1 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.603 0.761 . . . . 0.0 113.012 -178.282 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.4 t -91.1 -37.22 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.249 0.62 . . . . 0.0 112.638 -172.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.5 m -104.96 -14.86 15.3 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -175.102 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -64.2 -18.85 63.29 Favored Glycine 0 N--CA 1.476 1.354 0 CA-C-N 119.786 1.176 . . . . 0.0 115.01 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.5 m -61.97 -10.41 9.64 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.681 1.592 . . . . 0.0 114.665 178.015 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.3 t -67.88 -23.14 65.09 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.111 0.964 . . . . 0.0 113.095 172.179 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.74 152.52 39.07 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.2 1.0 . . . . 0.0 113.051 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -77.34 -27.45 52.74 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.923 0.889 . . . . 0.0 112.883 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.4 m -67.61 149.24 50.34 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.614 1.166 . . . . 0.0 113.266 -178.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.313 0 C-N-CA 125.999 1.72 . . . . 0.0 112.047 177.955 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.9 m -116.94 -1.14 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -173.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 t -72.96 135.74 45.05 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -171.126 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.7 mm -83.8 -17.75 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.664 1.186 . . . . 0.0 110.724 175.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.3 mt -75.11 -33.36 61.58 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.993 -1.067 . . . . 0.0 111.295 169.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -83.48 -34.28 25.39 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 174.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.5 m -129.94 73.88 1.55 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.824 1.649 . . . . 0.0 110.545 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.1 m -71.82 147.73 46.92 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.913 1.285 . . . . 0.0 112.575 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.1 m -133.68 155.25 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 125.656 1.583 . . . . 0.0 111.501 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -77.69 153.96 32.56 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.827 0.851 . . . . 0.0 111.808 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -52.81 -38.65 61.55 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.04 0.936 . . . . 0.0 112.929 176.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.5 mtm180 -62.64 -30.88 71.69 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -73.27 -40.92 64.21 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.402 0.547 . . . . 0.0 111.602 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.5 t -65.64 -44.42 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.358 0.663 . . . . 0.0 110.76 174.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -63.51 -44.93 92.85 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.784 0.834 . . . . 0.0 111.88 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -63.26 -38.8 92.59 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.995 172.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.22 99.38 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 120.479 1.491 . . . . 0.0 111.925 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.4 mt -60.68 -48.79 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.413 0.685 . . . . 0.0 111.002 173.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.7 -29.59 65.92 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -68.91 -40.6 79.02 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.795 1.238 . . . . 0.0 111.436 170.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.5 mt -62.74 -44.1 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 118.959 0.8 . . . . 0.0 110.571 172.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.5 tp -57.27 -45.5 83.99 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.198 0.999 . . . . 0.0 111.833 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -63.76 -50.1 70.37 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.305 1.042 . . . . 0.0 112.691 173.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -61.67 -43.81 98.15 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.432 1.093 . . . . 0.0 112.729 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.8 p -76.85 -5.19 47.34 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.9 t30 54.18 35.29 22.15 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.366 1.067 . . . . 0.0 112.429 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.1 p -108.86 172.38 6.88 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.461 1.104 . . . . 0.0 113.439 -169.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -104.91 149.48 25.68 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.036 0.934 . . . . 0.0 109.991 168.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.18 -24.76 66.69 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.009 -1.057 . . . . 0.0 113.242 -170.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -60.57 -42.36 96.47 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.613 -0.679 . . . . 0.0 111.642 169.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -75.37 -30.73 60.28 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.667 -0.646 . . . . 0.0 112.436 176.091 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.06 -40.14 94.29 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.459 1.027 . . . . 0.0 111.303 170.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.03 -46.49 87.35 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.048 -1.033 . . . . 0.0 111.577 171.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.19 -40.71 96.95 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 177.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.21 -42.62 79.57 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.549 0.74 . . . . 0.0 111.76 177.178 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 78.6 mmm -65.28 -40.92 94.5 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.221 -0.924 . . . . 0.0 111.912 175.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.61 -34.84 72.56 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.254 -0.904 . . . . 0.0 112.203 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.1 m -73.05 -24.56 60.71 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.8 p -102.49 -0.99 31.42 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.69 26.07 68.26 Favored Glycine 0 CA--C 1.533 1.21 0 O-C-N 121.707 -0.621 . . . . 0.0 113.778 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.49 15.74 70.44 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-O 118.901 -0.944 . . . . 0.0 115.276 178.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -83.74 103.07 12.73 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.364 1.582 . . . . 0.0 110.363 174.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.1 t -53.61 -41.71 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.001 0.921 . . . . 0.0 111.319 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -59.65 -43.56 93.86 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.7 mt -75.56 -36.46 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.76 76.0 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.442 -0.787 . . . . 0.0 111.783 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.4 pt -66.59 -36.81 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.348 -0.845 . . . . 0.0 111.457 176.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.87 -49.62 76.09 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.864 0.756 . . . . 0.0 112.395 171.481 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -62.95 -39.49 94.78 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 121.265 -0.897 . . . . 0.0 112.4 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.3 mt -67.11 -39.66 86.72 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 pp -83.92 -40.89 18.0 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.203 0.91 . . . . 0.0 113.021 -177.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.3 m -66.1 -22.5 66.41 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.582 1.083 . . . . 0.0 113.223 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -64.42 -25.11 67.87 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.956 1.302 . . . . 0.0 112.841 169.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -107.79 -41.47 4.98 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.378 1.471 . . . . 0.0 113.596 -175.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.4 t -158.71 151.75 22.45 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.495 1.118 . . . . 0.0 112.468 -171.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.4 m -78.45 52.22 1.13 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.433 1.493 . . . . 0.0 112.595 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.21 167.44 46.58 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 125.068 1.318 . . . . 0.0 114.514 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.18 11.68 85.1 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.308 0.956 . . . . 0.0 115.101 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 78.5 p -77.65 163.19 26.43 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.241 1.417 . . . . 0.0 113.159 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.8 -165.61 54.77 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.575 1.083 . . . . 0.0 114.614 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.42 166.01 54.09 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.599 1.095 . . . . 0.0 114.494 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.0 m -66.54 152.81 44.49 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.82 1.248 . . . . 0.0 113.205 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -64.64 147.92 51.98 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.31 1.044 . . . . 0.0 112.752 177.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.4 mt -87.49 148.44 24.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.412 1.085 . . . . 0.0 112.053 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.59 -173.33 47.13 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.395 0.998 . . . . 0.0 114.599 -178.66 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.81 -174.45 46.59 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 125.247 1.403 . . . . 0.0 113.12 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.5 m -65.23 141.03 58.78 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.066 0.946 . . . . 0.0 112.873 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.32 157.3 49.56 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.154 0.883 . . . . 0.0 114.232 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.63 -9.67 82.5 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.548 1.07 . . . . 0.0 115.124 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.6 m -77.52 -4.66 46.79 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.374 1.47 . . . . 0.0 114.675 -176.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.6 mtp-105 -66.08 159.94 24.96 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.76 1.224 . . . . 0.0 113.71 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -129.28 155.25 45.89 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 127.237 2.215 . . . . 0.0 110.007 168.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -137.1 154.7 50.23 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.194 1.398 . . . . 0.0 111.535 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.6 mt -90.46 171.25 9.56 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.423 1.089 . . . . 0.0 111.819 177.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.4 p -140.65 164.23 30.74 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.245 1.418 . . . . 0.0 111.344 172.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . 0.275 15.6 m 54.03 -2.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 C-N-CA 129.512 3.125 . . . . 0.0 118.111 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -80.76 -20.92 41.59 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.597 1.159 . . . . 0.0 112.955 171.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.75 179.22 41.44 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.816 1.198 . . . . 0.0 113.672 172.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.0 tpt -124.38 -9.75 7.48 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -175.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.3 mt -131.19 142.81 50.25 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.38 1.072 . . . . 0.0 112.813 -169.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -91.51 -17.12 26.17 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.366 1.066 . . . . 0.0 112.841 169.032 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -80.68 169.0 18.19 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.812 1.245 . . . . 0.0 112.319 173.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.8 m -54.04 156.8 2.8 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.476 1.91 . . . . 0.0 114.874 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -65.53 -13.85 59.8 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -176.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.7 p -53.88 -39.24 65.55 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.676 1.191 . . . . 0.0 113.011 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -67.95 -37.41 81.54 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.518 -0.739 . . . . 0.0 112.882 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -71.81 -39.21 70.01 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.307 -0.87 . . . . 0.0 111.564 176.486 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.8 mm -60.68 -46.71 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.619 0.768 . . . . 0.0 110.463 171.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.75 -46.03 90.4 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.913 0.778 . . . . 0.0 112.055 174.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -59.77 -52.12 66.81 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.624 0.647 . . . . 0.0 111.498 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -68.29 -31.82 71.53 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.72 -49.1 64.37 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.456 1.025 . . . . 0.0 111.033 174.038 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -65.42 -31.88 73.2 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.982 0.513 . . . . 0.0 111.763 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.86 -46.84 64.67 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.479 0.581 . . . . 0.0 112.161 171.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -55.62 -37.41 68.13 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.781 0.833 . . . . 0.0 112.78 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.0 t -92.95 -43.13 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.4 m -123.72 7.3 8.79 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -168.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -65.32 155.63 49.15 Favored Glycine 0 CA--C 1.538 1.522 0 O-C-N 121.019 -1.05 . . . . 0.0 114.019 176.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.1 m 49.24 -98.22 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.658 1.983 . . . . 0.0 113.998 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 64.4 p -90.14 -13.76 35.01 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.037 1.335 . . . . 0.0 114.063 -177.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.83 29.64 7.94 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.659 1.583 . . . . 0.0 113.928 -169.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -140.59 148.4 40.88 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.317 1.447 . . . . 0.0 111.772 -172.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 53.5 p -73.67 156.42 37.99 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.74 1.216 . . . . 0.0 113.448 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.386 0 C-N-CA 124.842 1.257 . . . . 0.0 112.937 178.385 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.5 m . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 p -79.03 -26.38 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 123.77 0.828 . . . . 0.0 113.179 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 p -72.58 156.42 39.01 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.371 1.468 . . . . 0.0 113.114 176.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 pp -137.23 160.21 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 126.643 1.977 . . . . 0.0 111.707 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.2 mt -77.03 -29.23 55.2 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -152.65 153.92 34.28 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.657 1.583 . . . . 0.0 113.111 176.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.1 p -126.16 -7.11 6.53 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.901 1.681 . . . . 0.0 113.45 169.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.7 p -88.87 166.2 14.13 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.513 1.925 . . . . 0.0 113.043 -178.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.9 m -127.94 167.7 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 126.486 1.914 . . . . 0.0 111.84 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -115.7 146.85 41.5 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.498 1.519 . . . . 0.0 111.389 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -60.42 -17.11 42.18 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.433 1.093 . . . . 0.0 113.798 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.3 ttt85 -50.16 -34.12 21.35 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.763 1.225 . . . . 0.0 112.084 167.011 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -66.83 -35.3 79.73 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.514 0.726 . . . . 0.0 112.526 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.7 t -73.08 -42.58 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 121.66 -0.65 . . . . 0.0 110.256 174.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -60.07 -40.49 89.68 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.45 0.568 . . . . 0.0 112.328 172.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.6 -41.53 99.02 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.116 0.966 . . . . 0.0 112.061 172.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.18 -42.27 99.34 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.711 1.141 . . . . 0.0 111.958 176.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.0 mm -60.18 -48.63 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.004 0.521 . . . . 0.0 110.83 172.516 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -62.24 -34.44 76.51 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.744 0.817 . . . . 0.0 112.96 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -72.07 -41.52 67.27 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.99 -1.069 . . . . 0.0 112.018 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.0 mt -62.75 -44.9 99.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 118.887 0.767 . . . . 0.0 110.797 170.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.4 tp -55.65 -45.2 77.69 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.559 1.143 . . . . 0.0 111.841 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.7 mtm105 -69.57 -45.86 67.7 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.784 0.834 . . . . 0.0 112.864 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -60.56 -35.93 77.23 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.337 0.971 . . . . 0.0 112.378 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.4 p -86.85 -0.94 57.34 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 50.42 37.42 15.56 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.701 1.6 . . . . 0.0 112.912 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 84.9 p -114.31 175.72 5.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.44 1.096 . . . . 0.0 113.549 -168.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -104.79 150.61 24.65 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.678 0.791 . . . . 0.0 109.394 166.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.94 -22.27 66.66 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.628 -1.295 . . . . 0.0 114.02 -169.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -66.59 -34.28 77.53 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 121.368 -0.833 . . . . 0.0 112.592 169.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -72.12 -39.78 68.6 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.321 -0.862 . . . . 0.0 111.118 174.371 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -63.5 -41.65 98.54 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 122.708 0.403 . . . . 0.0 111.101 173.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.96 -49.3 77.25 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.498 0.719 . . . . 0.0 111.579 172.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.45 -39.76 94.41 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.51 87.18 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.436 0.694 . . . . 0.0 112.31 175.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.2 mmm -69.43 -41.16 76.69 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.185 -0.947 . . . . 0.0 111.944 174.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -64.16 -37.83 88.85 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.79 0.836 . . . . 0.0 111.442 176.096 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.9 m -72.5 -19.73 61.48 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 178.318 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.7 p -112.45 -0.19 15.37 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.643 1.177 . . . . 0.0 114.038 -176.366 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.71 28.25 69.48 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.277 -0.889 . . . . 0.0 113.47 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.27 14.36 76.81 Favored Glycine 0 CA--C 1.532 1.123 0 N-CA-C 115.496 0.958 . . . . 0.0 115.496 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.8 mmt-85 -76.95 93.0 3.72 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.33 1.565 . . . . 0.0 109.727 175.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.5 t -51.35 -44.9 32.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 124.155 0.982 . . . . 0.0 111.829 -174.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -60.04 -42.31 94.15 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 38.7 mt -74.6 -38.38 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 123.314 0.646 . . . . 0.0 109.865 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.96 -49.53 74.37 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.829 0.852 . . . . 0.0 111.436 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.9 pt -68.6 -36.3 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.599 -0.688 . . . . 0.0 110.903 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.72 -47.56 85.74 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.379 0.99 . . . . 0.0 113.104 174.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -69.01 -39.32 79.36 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.691 -0.631 . . . . 0.0 111.975 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.9 tp -66.75 -34.58 78.15 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.442 0.697 . . . . 0.0 112.72 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.6 mt -68.57 -41.19 80.09 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.885 0.874 . . . . 0.0 112.193 169.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.9 t -61.29 -36.94 81.47 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.507 -0.745 . . . . 0.0 112.144 174.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -87.38 11.64 14.03 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.859 1.664 . . . . 0.0 114.854 177.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -74.75 44.1 0.21 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 125.876 1.67 . . . . 0.0 113.388 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.5 t -157.16 -9.8 0.09 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.153 2.181 . . . . 0.0 112.8 -177.241 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.7 m -94.65 9.77 37.49 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -169.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.84 148.8 50.76 Favored Glycine 0 CA--C 1.54 1.633 0 C-N-CA 124.261 0.934 . . . . 0.0 113.908 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.52 160.42 53.69 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.449 1.023 . . . . 0.0 114.279 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 77.8 p -91.26 -8.9 47.06 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.364 1.465 . . . . 0.0 114.629 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.5 163.23 51.66 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.681 1.134 . . . . 0.0 114.586 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -73.76 173.3 50.06 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.579 1.085 . . . . 0.0 114.467 177.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 83.9 p -141.56 162.46 35.42 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.82 1.648 . . . . 0.0 112.737 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -67.93 137.4 55.16 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.483 1.113 . . . . 0.0 111.269 178.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 95.8 mt -127.12 148.79 50.15 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.543 1.537 . . . . 0.0 111.282 175.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.64 -168.11 49.64 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 124.239 0.923 . . . . 0.0 114.77 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.0 177.85 51.07 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.822 1.201 . . . . 0.0 114.482 -177.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.2 m -68.79 151.48 46.57 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.752 1.221 . . . . 0.0 113.392 -175.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.07 177.94 38.04 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 124.357 0.98 . . . . 0.0 114.235 174.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.35 160.32 49.28 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 124.336 0.97 . . . . 0.0 114.274 177.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.6 p -82.38 -19.32 39.38 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -177.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 85.1 mtm-85 -88.08 152.79 21.76 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.094 1.358 . . . . 0.0 112.405 175.13 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -146.16 167.15 24.14 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.368 1.867 . . . . 0.0 112.554 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -69.47 160.27 31.73 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.16 0.984 . . . . 0.0 113.101 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -134.29 160.74 36.98 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.952 1.701 . . . . 0.0 114.479 -169.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.6 m -126.81 88.46 2.82 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.285 1.434 . . . . 0.0 111.005 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.7 m -130.02 168.5 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.498 1.519 . . . . 0.0 111.308 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -119.72 139.87 51.59 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.858 1.263 . . . . 0.0 112.08 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -163.43 -179.22 37.72 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 125.215 1.388 . . . . 0.0 113.829 176.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 77.3 mtm -79.84 159.88 26.3 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.504 1.122 . . . . 0.0 112.243 178.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.3 tp -56.41 126.84 28.19 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.714 1.206 . . . . 0.0 112.626 -176.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -78.82 -34.18 45.51 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 -173.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.3 t0 60.45 171.3 0.09 Allowed 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.43 1.892 . . . . 0.0 113.783 -169.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.3 m -76.15 47.37 0.45 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.788 1.635 . . . . 0.0 112.292 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -84.7 129.39 34.84 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.525 1.93 . . . . 0.0 113.317 -171.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.8 p -58.21 -42.69 86.75 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.964 1.306 . . . . 0.0 113.466 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -71.04 -43.13 68.49 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -174.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -67.04 -39.32 86.92 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.137 0.881 . . . . 0.0 112.139 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.85 -45.56 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 118.568 0.622 . . . . 0.0 110.905 174.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 57.9 tp -58.7 -47.02 85.97 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.666 -0.646 . . . . 0.0 111.731 174.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -60.95 -49.86 75.74 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.445 0.566 . . . . 0.0 111.264 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.1 tpp85 -65.21 -36.17 83.33 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.342 0.974 . . . . 0.0 112.614 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.6 tp -61.55 -45.97 91.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.194 0.906 . . . . 0.0 110.891 173.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -69.44 -38.12 77.68 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.231 0.612 . . . . 0.0 111.97 -176.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -60.4 -52.46 65.15 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.438 0.563 . . . . 0.0 110.719 170.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 19.0 ttt-85 -58.64 -43.77 89.85 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.384 1.074 . . . . 0.0 112.682 -176.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.2 p -94.83 -31.53 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -172.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 55.6 m -122.43 -9.27 8.54 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -170.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.34 155.27 53.44 Favored Glycine 0 CA--C 1.538 1.489 0 CA-C-N 119.961 1.255 . . . . 0.0 113.745 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.2 p -94.95 142.92 26.91 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.864 1.266 . . . . 0.0 112.477 175.436 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 70.5 m -145.91 134.59 22.24 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.363 1.465 . . . . 0.0 109.994 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -147.49 162.81 38.29 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.898 1.279 . . . . 0.0 112.487 -177.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -141.51 133.81 28.02 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.513 1.525 . . . . 0.0 110.781 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.4 m -81.57 -26.21 35.17 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -172.004 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.346 0 C-N-CA 125.709 1.604 . . . . 0.0 112.314 -178.944 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.6 m -83.08 -12.59 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 -175.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.3 p -69.23 156.47 38.68 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.926 1.29 . . . . 0.0 112.604 173.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -89.44 -11.27 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 -173.157 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.2 mt -79.95 142.4 35.12 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.997 0.919 . . . . 0.0 112.026 -175.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -142.09 158.73 43.41 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.949 1.7 . . . . 0.0 111.352 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.4 m -67.06 151.7 47.14 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.408 1.083 . . . . 0.0 112.671 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.0 p -74.13 156.56 37.25 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.253 1.021 . . . . 0.0 112.768 175.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.4 m -128.68 17.97 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 124.995 1.318 . . . . 0.0 113.572 -173.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -70.23 154.49 41.85 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.971 0.908 . . . . 0.0 112.021 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -59.07 -25.65 63.95 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -173.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -33.72 71.51 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-N 119.676 1.126 . . . . 0.0 112.886 172.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -66.78 -37.38 84.46 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.759 0.709 . . . . 0.0 111.271 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.6 t -76.38 -38.54 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.426 0.69 . . . . 0.0 111.205 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -60.03 -43.73 95.1 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.569 -0.707 . . . . 0.0 111.583 170.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.31 -43.11 98.75 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.365 0.666 . . . . 0.0 111.993 174.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.71 98.13 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.537 -0.727 . . . . 0.0 111.741 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.4 mt -59.72 -49.16 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-O 118.68 -0.676 . . . . 0.0 110.302 175.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.66 -39.3 83.99 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.11 0.868 . . . . 0.0 112.722 176.242 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.61 -45.87 90.86 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 118.617 0.644 . . . . 0.0 111.802 176.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.72 -42.4 95.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 118.352 0.524 . . . . 0.0 110.435 173.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.3 tp -60.01 -44.65 94.45 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.308 1.043 . . . . 0.0 111.872 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -76.04 -33.36 59.61 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 174.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -63.26 -40.93 98.78 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.983 0.81 . . . . 0.0 112.759 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.9 p -88.34 -11.08 47.33 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.4 t30 55.81 17.09 2.31 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 125.391 1.476 . . . . 0.0 114.039 -169.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 97.3 p -81.91 170.72 15.3 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.706 -1.246 . . . . 0.0 113.22 -174.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.9 p -88.61 159.74 17.74 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 167.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.89 -27.85 68.51 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.088 -1.632 . . . . 0.0 111.956 176.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -65.63 -43.86 88.22 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.591 -0.693 . . . . 0.0 111.805 170.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -62.79 -40.9 98.75 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.104 0.562 . . . . 0.0 111.449 174.33 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -67.08 -42.98 83.73 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.719 -0.613 . . . . 0.0 112.239 176.445 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.27 -45.33 94.95 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.941 0.791 . . . . 0.0 110.887 175.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.53 -39.92 95.69 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.59 0.756 . . . . 0.0 112.946 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.6 88.75 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.621 -0.674 . . . . 0.0 112.285 175.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.5 mmm -66.46 -42.84 86.97 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.26 -0.9 . . . . 0.0 111.915 173.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.6 -36.54 84.16 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.505 1.048 . . . . 0.0 112.418 172.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.9 m -70.76 -23.54 62.43 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.9 p -108.14 2.26 22.8 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -177.49 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.49 23.72 64.53 Favored Glycine 0 CA--C 1.535 1.342 0 O-C-N 121.755 -0.591 . . . . 0.0 114.138 177.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.28 58.68 3.3 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.078 0.847 . . . . 0.0 113.586 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.44 107.65 6.08 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.085 0.954 . . . . 0.0 111.021 177.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.04 -43.27 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -168.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -63.63 -37.89 89.03 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 119.901 1.228 . . . . 0.0 113.2 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.4 mm -73.01 -37.7 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.444 0.698 . . . . 0.0 110.006 177.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.7 -45.74 81.62 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.499 -0.751 . . . . 0.0 111.957 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 pt -68.88 -35.93 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 121.441 -0.787 . . . . 0.0 111.236 175.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.57 -45.82 88.21 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.231 0.923 . . . . 0.0 112.383 171.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -68.9 -33.95 74.61 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.9 mt -65.21 -37.8 88.42 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.305 0.502 . . . . 0.0 112.049 171.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.6 mt -79.62 -41.81 26.25 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.9 p -67.5 -26.28 66.27 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -173.198 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -75.71 -11.29 59.97 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 173.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 53.27 41.0 32.15 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.789 1.636 . . . . 0.0 114.017 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.2 t -150.02 138.03 20.26 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.203 1.401 . . . . 0.0 110.735 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 85.4 p -159.79 154.57 24.43 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.182 0.993 . . . . 0.0 112.917 -173.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.95 -164.97 54.01 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 123.78 0.705 . . . . 0.0 113.973 174.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 179.24 169.88 40.34 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 124.872 1.225 . . . . 0.0 113.163 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.3 m -70.48 140.59 51.94 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.157 0.983 . . . . 0.0 112.548 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.54 -10.82 85.63 Favored Glycine 0 CA--C 1.536 1.37 0 N-CA-C 116.015 1.166 . . . . 0.0 116.015 -176.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.72 -11.67 50.3 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 124.771 1.177 . . . . 0.0 115.884 -173.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.6 p -74.24 -17.31 60.9 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.553 1.177 . . . . 0.0 113.682 173.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -85.26 130.51 34.59 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.442 1.097 . . . . 0.0 111.667 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 pp -144.16 1.4 1.1 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.309 1.444 . . . . 0.0 114.718 168.613 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.97 -149.4 29.59 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.412 1.006 . . . . 0.0 114.114 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.68 -139.37 19.35 Favored Glycine 0 CA--C 1.535 1.323 0 O-C-N 121.843 -0.798 . . . . 0.0 113.076 -176.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.4 m -56.69 136.18 55.01 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.128 1.371 . . . . 0.0 114.282 -169.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.97 -154.97 2.8 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 126.176 1.846 . . . . 0.0 114.271 177.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.71 145.8 49.76 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 123.583 0.611 . . . . 0.0 113.137 175.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 72.3 p -78.77 -20.69 49.26 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -174.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -136.2 155.39 50.2 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.974 1.71 . . . . 0.0 112.022 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -80.19 163.81 23.76 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.272 1.429 . . . . 0.0 111.765 172.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -137.91 148.61 45.47 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.143 1.377 . . . . 0.0 112.217 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.7 tp -144.05 139.65 29.08 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.835 1.254 . . . . 0.0 111.084 178.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.5 m -71.88 -2.31 17.42 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 -169.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.8 m -74.85 -16.79 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -177.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -96.42 140.93 30.35 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.153 1.381 . . . . 0.0 111.538 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.41 167.63 17.29 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.712 1.149 . . . . 0.0 113.708 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 64.1 mtt -139.69 151.07 45.6 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.379 1.472 . . . . 0.0 111.741 176.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.1 mt 59.52 172.21 0.08 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.703 2.001 . . . . 0.0 114.757 -176.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -145.92 155.84 43.13 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.222 1.409 . . . . 0.0 112.238 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -155.9 158.94 38.83 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.598 1.559 . . . . 0.0 110.688 175.456 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.5 t -64.22 -31.39 72.57 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -139.32 -50.66 0.52 Allowed 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -177.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.6 m -64.12 -34.07 77.22 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 120.723 -1.236 . . . . 0.0 113.781 -168.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -71.85 -33.12 68.18 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.8 0.727 . . . . 0.0 112.372 175.31 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -70.13 -46.6 64.44 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.277 -0.889 . . . . 0.0 111.002 175.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.81 -47.41 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 123.409 0.684 . . . . 0.0 110.248 173.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.1 tp -58.99 -46.11 88.96 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 118.567 -0.73 . . . . 0.0 112.257 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -63.14 -44.14 96.37 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.981 1.264 . . . . 0.0 111.629 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -69.41 -35.17 75.47 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.012 -1.055 . . . . 0.0 112.976 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.5 tp -66.32 -36.52 83.13 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.534 -0.729 . . . . 0.0 111.525 172.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.1 ttp85 -66.0 -41.93 90.4 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.649 1.18 . . . . 0.0 110.648 174.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -59.34 -52.61 64.89 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.165 0.893 . . . . 0.0 111.097 172.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 64.8 mtp85 -62.55 -39.66 94.33 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.033 0.933 . . . . 0.0 112.959 -176.148 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.5 t -83.54 -47.92 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.376 0.671 . . . . 0.0 112.018 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 81.5 p -69.43 -30.37 68.3 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.508 1.049 . . . . 0.0 112.247 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -82.13 4.7 75.06 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 125.254 1.407 . . . . 0.0 115.326 173.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.2 t -66.55 161.16 23.65 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.005 1.403 . . . . 0.0 112.671 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.1 p -62.17 132.15 51.84 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.754 1.221 . . . . 0.0 113.417 -172.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.4 -22.93 47.05 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.848 1.259 . . . . 0.0 112.888 171.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 57.54 22.6 8.3 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.098 1.759 . . . . 0.0 115.634 174.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.4 t -146.36 152.59 39.34 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.692 1.197 . . . . 0.0 112.138 -177.304 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.343 0 C-N-CA 126.296 1.838 . . . . 0.0 111.727 -178.834 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.6 p . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 120.935 0.397 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p -73.01 146.42 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.057 0.943 . . . . 0.0 112.108 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -144.79 159.65 42.53 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.199 1.399 . . . . 0.0 111.902 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.58 157.08 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.422 1.489 . . . . 0.0 113.145 -176.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 65.3 tp -69.37 132.54 46.54 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.818 0.847 . . . . 0.0 110.484 169.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -125.4 147.84 49.02 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.525 1.53 . . . . 0.0 111.227 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.3 m 59.11 171.81 0.07 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 126.711 2.004 . . . . 0.0 114.806 -172.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.4 m -57.92 150.13 21.2 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.776 1.231 . . . . 0.0 112.409 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.3 p -122.09 -36.46 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -172.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 36.4 m120 -75.14 -21.11 59.05 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 120.012 1.278 . . . . 0.0 113.597 -173.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -68.51 -27.87 66.5 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.025 -1.047 . . . . 0.0 112.362 173.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -63.45 -33.3 75.25 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.186 0.994 . . . . 0.0 111.877 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.07 -39.84 90.41 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.396 0.679 . . . . 0.0 111.5 176.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 t -72.28 -39.14 63.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.294 0.638 . . . . 0.0 111.051 176.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.54 -44.5 96.93 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.2 0.6 . . . . 0.0 111.98 173.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.87 -41.36 99.35 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.972 0.909 . . . . 0.0 112.235 173.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.96 96.71 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 118.962 0.801 . . . . 0.0 111.576 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.5 mt -60.22 -46.39 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 123.804 0.842 . . . . 0.0 111.016 172.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -34.88 78.82 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.458 -0.776 . . . . 0.0 112.843 178.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -65.67 -40.86 92.84 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.757 0.823 . . . . 0.0 111.996 173.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.2 mt -64.97 -45.47 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-N 118.823 0.738 . . . . 0.0 111.021 172.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.8 tp -56.08 -44.48 79.0 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.486 1.114 . . . . 0.0 111.524 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -70.09 -46.29 65.19 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.078 0.951 . . . . 0.0 112.56 176.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -58.86 -41.52 87.22 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.31 1.044 . . . . 0.0 112.512 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.2 p -86.57 -1.83 57.98 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 51.0 33.33 8.76 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.394 1.477 . . . . 0.0 113.15 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.2 p -101.82 174.62 5.87 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.854 1.262 . . . . 0.0 113.921 -168.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.2 p -92.01 155.09 18.36 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.388 0.675 . . . . 0.0 110.018 168.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -64.45 -31.91 73.31 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.115 -0.99 . . . . 0.0 112.355 178.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -67.72 -40.02 84.28 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 122.042 -0.411 . . . . 0.0 111.8 174.081 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -67.29 -39.91 86.06 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.664 0.665 . . . . 0.0 111.935 175.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -65.97 -43.31 88.26 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.936 0.789 . . . . 0.0 112.139 174.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.76 -44.57 93.8 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.671 -0.643 . . . . 0.0 111.445 174.327 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -65.71 -40.67 92.47 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.63 -41.87 99.27 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.208 0.603 . . . . 0.0 111.691 174.052 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 69.5 mmm -67.67 -38.02 83.18 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.892 0.877 . . . . 0.0 112.804 174.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -64.79 -42.12 95.3 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.859 0.754 . . . . 0.0 111.529 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.7 p -69.14 -24.48 64.09 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.4 p -102.62 -3.6 26.42 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.936 1.294 . . . . 0.0 113.869 -178.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.11 27.38 72.07 Favored Glycine 0 CA--C 1.537 1.418 0 O-C-N 121.579 -0.7 . . . . 0.0 113.645 -177.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.06 14.24 72.59 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 115.351 0.9 . . . . 0.0 115.351 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -77.72 93.23 4.25 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.573 1.686 . . . . 0.0 109.618 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.5 t -53.48 -42.04 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 123.935 0.894 . . . . 0.0 112.28 -170.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -61.96 -41.59 98.17 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.485 1.039 . . . . 0.0 113.447 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.6 mt -74.17 -36.81 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 123.351 0.66 . . . . 0.0 109.563 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.77 -48.34 74.88 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.456 0.702 . . . . 0.0 111.525 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.7 pt -68.58 -35.57 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 119.121 0.873 . . . . 0.0 111.473 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.18 87.43 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.893 0.769 . . . . 0.0 112.859 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -66.23 -42.58 88.45 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.959 0.904 . . . . 0.0 112.058 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.9 tp -63.61 -29.48 70.72 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.166 0.986 . . . . 0.0 112.152 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.8 mt -81.37 -42.76 19.99 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.733 0.813 . . . . 0.0 112.904 169.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.7 p -70.66 -25.55 63.05 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.987 1.267 . . . . 0.0 114.261 -174.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -72.06 -15.32 62.02 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.535 1.134 . . . . 0.0 113.775 169.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -102.02 173.81 6.22 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.008 1.323 . . . . 0.0 111.959 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.7 p -61.7 -16.82 52.31 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 121.0 -1.063 . . . . 0.0 113.752 175.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.3 m -67.96 -11.54 59.02 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.55 1.54 . . . . 0.0 114.393 171.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.95 159.21 43.84 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.513 1.054 . . . . 0.0 114.953 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.81 -170.94 36.25 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.748 1.166 . . . . 0.0 114.71 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 m -75.29 -8.28 56.21 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -172.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.81 27.2 67.41 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 124.08 0.847 . . . . 0.0 114.681 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -75.7 -10.09 84.84 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.699 1.142 . . . . 0.0 115.827 -176.353 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.5 m 53.2 39.52 29.81 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.921 1.689 . . . . 0.0 114.387 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -54.8 -32.22 59.99 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 126.017 1.727 . . . . 0.0 114.203 -170.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.4 mt -111.46 8.75 21.25 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.521 1.528 . . . . 0.0 113.497 -175.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.16 -7.88 84.56 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 124.636 1.112 . . . . 0.0 115.158 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.24 -173.96 42.61 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.976 1.274 . . . . 0.0 114.809 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.9 m -55.96 135.17 52.52 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.635 1.174 . . . . 0.0 112.365 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.79 0.1 79.67 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.401 1.001 . . . . 0.0 115.272 -175.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.97 -32.41 80.8 Favored Glycine 0 CA--C 1.535 1.333 0 CA-C-N 118.89 1.345 . . . . 0.0 113.566 176.419 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 54.1 m -77.97 124.53 28.13 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.331 1.052 . . . . 0.0 110.436 169.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -102.79 3.59 36.97 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -170.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -140.68 158.66 43.65 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 126.154 1.781 . . . . 0.0 112.602 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -147.33 142.04 26.7 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.737 1.615 . . . . 0.0 110.538 174.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.6 mt 55.5 -169.06 0.08 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.708 1.603 . . . . 0.0 113.091 -169.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.8 m -64.6 144.35 57.27 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.52 1.128 . . . . 0.0 112.941 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.7 m -134.31 163.64 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 125.877 1.671 . . . . 0.0 111.96 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -68.23 150.57 48.13 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.217 1.007 . . . . 0.0 112.282 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.72 166.65 54.64 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.519 1.057 . . . . 0.0 114.186 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 64.5 mtt -135.0 156.44 49.03 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.946 1.698 . . . . 0.0 111.349 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.8 tp -122.44 138.63 54.48 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.434 1.494 . . . . 0.0 111.338 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -137.41 153.54 50.14 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.297 1.439 . . . . 0.0 111.678 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.92 -39.7 66.09 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.653 -0.655 . . . . 0.0 111.324 169.731 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.8 p -85.98 49.55 1.8 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.859 2.064 . . . . 0.0 111.752 172.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -52.2 130.18 29.82 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.452 1.501 . . . . 0.0 113.659 -173.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.4 p -55.94 -49.23 74.09 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.624 1.17 . . . . 0.0 113.218 -173.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -71.48 -38.52 71.2 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.222 0.609 . . . . 0.0 112.423 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -65.0 -46.13 82.66 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.127 0.876 . . . . 0.0 111.897 177.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 mp -68.76 -41.66 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.564 -0.71 . . . . 0.0 110.394 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.8 tp -57.88 -45.18 86.77 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 118.888 0.767 . . . . 0.0 111.892 173.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -61.58 -47.14 86.85 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.637 0.653 . . . . 0.0 111.532 176.523 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -36.03 82.64 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.602 0.637 . . . . 0.0 112.312 177.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.6 tp -68.65 -39.76 80.53 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.746 -0.596 . . . . 0.0 111.7 173.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 57.8 ttm-85 -63.58 -39.4 94.28 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.244 0.929 . . . . 0.0 111.273 176.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -61.83 -52.69 63.14 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.26 0.482 . . . . 0.0 111.334 171.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -60.16 -40.54 90.28 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.706 0.802 . . . . 0.0 113.093 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.0 t -95.2 -33.46 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.569 0.748 . . . . 0.0 113.0 -172.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.9 m -126.14 -5.09 6.74 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -170.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.17 170.63 54.78 Favored Glycine 0 CA--C 1.539 1.569 0 CA-C-N 119.621 1.1 . . . . 0.0 113.778 174.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.9 t -150.33 156.58 41.78 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.105 1.362 . . . . 0.0 112.002 177.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 67.6 p -114.43 -2.42 13.23 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.764 1.626 . . . . 0.0 113.609 -177.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -86.62 164.23 16.95 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.443 1.497 . . . . 0.0 113.318 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -122.86 154.03 38.84 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.027 1.731 . . . . 0.0 111.429 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.6 p -145.49 160.15 42.04 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.311 1.445 . . . . 0.0 112.432 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.305 0 C-N-CA 125.015 1.326 . . . . 0.0 112.821 179.138 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.3 p . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.2 m -132.68 157.6 43.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 126.046 1.738 . . . . 0.0 112.07 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.0 m -70.88 135.67 48.17 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.36 1.064 . . . . 0.0 112.1 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -127.67 5.27 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 125.642 1.577 . . . . 0.0 114.455 -173.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.5 mt -87.09 55.59 3.63 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.983 1.313 . . . . 0.0 110.795 176.115 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -90.59 158.91 16.72 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.849 1.659 . . . . 0.0 112.921 -169.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 65.9 p 47.54 -149.18 0.15 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 127.07 2.148 . . . . 0.0 114.877 173.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.1 t -151.2 -178.36 6.59 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.086 1.754 . . . . 0.0 111.65 -175.348 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.9 t -57.73 133.24 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 125.093 1.357 . . . . 0.0 110.708 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -72.49 126.9 30.98 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.875 0.87 . . . . 0.0 112.019 -174.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -70.09 -15.88 63.05 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.804 1.242 . . . . 0.0 114.065 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -58.52 -34.5 71.03 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.233 0.924 . . . . 0.0 113.253 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -68.67 -36.87 79.11 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.257 0.48 . . . . 0.0 111.948 175.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.9 t -69.41 -41.36 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.783 0.833 . . . . 0.0 110.638 175.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.23 -40.43 94.06 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.574 0.75 . . . . 0.0 112.775 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -63.26 -41.48 99.04 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.914 0.885 . . . . 0.0 111.588 172.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.38 94.83 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 118.793 0.724 . . . . 0.0 111.903 176.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.1 mt -58.73 -48.63 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.648 0.779 . . . . 0.0 111.137 171.352 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -67.03 -38.29 85.65 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.513 0.597 . . . . 0.0 111.768 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.46 -43.54 93.17 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.104 -0.998 . . . . 0.0 111.76 173.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.4 mt -63.53 -44.99 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 118.853 0.751 . . . . 0.0 111.005 173.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.7 tp -56.86 -47.53 80.2 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.521 1.129 . . . . 0.0 111.952 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -74.88 -37.46 62.15 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 118.887 -0.577 . . . . 0.0 112.336 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -64.58 -41.34 96.33 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 118.965 0.802 . . . . 0.0 112.611 178.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.5 p -83.44 -5.92 59.3 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 175.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.3 t30 51.35 45.57 27.76 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.663 1.585 . . . . 0.0 112.573 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.2 p -112.83 172.86 6.68 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.002 1.321 . . . . 0.0 113.724 -169.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.4 p -91.95 153.68 19.32 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.579 0.752 . . . . 0.0 110.38 169.124 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.71 -36.4 83.5 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.233 -0.917 . . . . 0.0 111.321 -177.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -66.82 -36.26 81.96 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 173.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -71.7 -33.75 69.04 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.435 1.016 . . . . 0.0 112.381 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -67.15 -43.92 81.1 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.752 0.706 . . . . 0.0 111.436 170.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.36 -43.37 96.6 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.227 -0.921 . . . . 0.0 111.375 174.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.58 -40.42 96.85 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.145 0.578 . . . . 0.0 112.304 174.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.78 85.04 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.6 -0.687 . . . . 0.0 112.146 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.6 mmm -67.84 -42.42 81.46 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.383 -0.823 . . . . 0.0 112.326 172.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -65.07 -36.93 85.89 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.658 1.117 . . . . 0.0 112.384 174.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.8 t -66.2 -26.91 67.61 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.312 1.045 . . . . 0.0 113.148 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.5 p -111.71 3.31 17.72 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -173.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.08 23.99 72.84 Favored Glycine 0 CA--C 1.533 1.19 0 O-C-N 121.668 -0.645 . . . . 0.0 113.693 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.76 8.05 83.3 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 118.328 -1.262 . . . . 0.0 116.007 175.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.9 mtt85 -78.12 110.66 13.29 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 120.011 1.906 . . . . 0.0 110.495 173.283 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.6 t -59.29 -38.69 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-O 118.591 -0.719 . . . . 0.0 111.677 -176.08 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -60.49 -44.07 96.34 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 119.752 1.16 . . . . 0.0 113.478 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.1 mm -76.37 -34.93 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 122.602 0.361 . . . . 0.0 110.133 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.12 -49.97 73.76 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.53 -0.731 . . . . 0.0 111.241 174.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.5 pt -67.7 -33.32 61.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 119.365 0.984 . . . . 0.0 111.721 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.61 -47.74 83.32 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.173 0.897 . . . . 0.0 112.597 171.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -69.28 -38.67 78.45 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.932 -1.105 . . . . 0.0 112.669 175.24 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.0 tp -63.19 -34.17 77.06 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.389 1.076 . . . . 0.0 112.247 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.6 mt -77.31 -43.39 33.29 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.229 1.012 . . . . 0.0 113.004 171.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.7 m -75.88 -31.17 59.12 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -173.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 57.51 -60.08 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 129.489 3.116 . . . . 0.0 116.261 -176.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -84.65 158.17 20.92 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.551 1.14 . . . . 0.0 111.969 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.2 p -84.55 -17.22 39.57 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.513 1.125 . . . . 0.0 113.808 177.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.6 m -70.37 155.16 41.06 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.004 1.322 . . . . 0.0 113.375 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.75 -154.05 49.55 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 124.219 0.914 . . . . 0.0 114.349 176.721 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.41 176.14 48.42 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 124.88 1.229 . . . . 0.0 114.255 -174.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.9 m -71.23 145.14 49.81 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.23 1.012 . . . . 0.0 112.81 -176.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 171.33 179.73 42.61 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.481 1.038 . . . . 0.0 113.699 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.9 -43.12 1.39 Allowed Glycine 0 CA--C 1.539 1.547 0 C-N-CA 126.097 1.808 . . . . 0.0 115.912 174.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.7 m -111.82 147.87 34.8 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.774 1.63 . . . . 0.0 112.529 -176.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.7 tptp 46.18 60.16 3.38 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.472 1.909 . . . . 0.0 112.863 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.8 mt -93.54 126.76 38.87 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.338 1.055 . . . . 0.0 110.168 176.369 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.22 -152.28 51.28 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 123.918 0.771 . . . . 0.0 113.301 -174.063 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.67 9.96 86.08 Favored Glycine 0 CA--C 1.54 1.594 0 N-CA-C 116.059 1.183 . . . . 0.0 116.059 172.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.8 m -139.61 151.52 46.07 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.362 1.465 . . . . 0.0 111.881 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.56 175.55 43.59 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.729 1.157 . . . . 0.0 114.482 -178.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.34 -9.69 81.38 Favored Glycine 0 CA--C 1.537 1.463 0 N-CA-C 115.673 1.029 . . . . 0.0 115.673 -176.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.2 m 54.45 31.92 15.66 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.912 1.685 . . . . 0.0 114.728 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.1 mtp-105 -78.25 157.89 29.11 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.816 1.246 . . . . 0.0 112.158 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -93.4 11.15 29.36 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.709 1.604 . . . . 0.0 113.232 170.648 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -146.2 142.32 28.3 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.127 2.171 . . . . 0.0 110.588 -175.18 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -152.78 163.21 40.15 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.298 1.439 . . . . 0.0 112.406 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.9 p -140.81 162.16 36.09 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.622 1.569 . . . . 0.0 112.264 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.3 m -135.66 157.72 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 125.36 1.464 . . . . 0.0 112.431 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -80.87 -15.97 54.91 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.717 1.207 . . . . 0.0 114.15 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -166.39 171.01 41.26 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 126.07 1.795 . . . . 0.0 112.117 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 58.6 mtt 53.3 39.59 30.02 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.124 1.369 . . . . 0.0 113.249 -174.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.5 tp -68.82 -26.41 65.16 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.67 1.188 . . . . 0.0 113.469 -175.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -130.11 155.38 46.29 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.349 1.46 . . . . 0.0 112.489 -177.118 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.7 t0 47.99 57.84 5.67 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.062 1.745 . . . . 0.0 114.019 -178.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.6 m -57.41 149.83 19.83 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.078 1.351 . . . . 0.0 113.332 -177.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -59.3 -30.2 68.16 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -176.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m -60.44 -43.17 97.1 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.298 -0.876 . . . . 0.0 113.008 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -71.96 -32.41 67.25 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.511 1.05 . . . . 0.0 112.871 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -62.94 -48.01 80.74 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 118.937 0.789 . . . . 0.0 111.428 172.39 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.0 mm -61.98 -43.03 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.05 0.94 . . . . 0.0 110.567 175.586 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 66.6 tp -59.79 -47.76 84.39 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.434 1.015 . . . . 0.0 112.173 174.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -57.29 -53.85 53.46 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.06 0.846 . . . . 0.0 111.561 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -67.0 -36.37 82.01 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 118.075 -0.964 . . . . 0.0 112.123 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 34.4 tp -68.95 -41.14 78.4 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 120.383 1.447 . . . . 0.0 111.378 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 50.7 ttt85 -69.4 -37.27 77.42 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.598 0.635 . . . . 0.0 111.389 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -66.54 -48.93 68.14 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.302 0.501 . . . . 0.0 111.78 170.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -61.04 -37.36 82.35 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.5 1.12 . . . . 0.0 113.466 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.1 t -93.66 -38.15 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -176.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.9 m -123.52 -1.84 8.51 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -168.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.19 168.97 36.44 Favored Glycine 0 CA--C 1.535 1.309 0 CA-C-N 119.441 1.018 . . . . 0.0 114.134 -176.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.0 p -66.97 -32.1 73.11 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.318 -1.107 . . . . 0.0 113.578 -176.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 37.4 p -66.91 -18.83 65.57 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.314 1.446 . . . . 0.0 113.871 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.26 -5.82 30.42 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 173.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -101.76 -6.68 23.36 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.328 1.451 . . . . 0.0 113.184 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.8 m -72.71 150.27 43.04 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.734 1.214 . . . . 0.0 113.061 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.266 0 C-N-CA 126.14 1.776 . . . . 0.0 112.158 178.179 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 p -144.93 151.18 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 125.315 1.446 . . . . 0.0 111.08 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -68.56 154.96 40.89 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.791 0.836 . . . . 0.0 112.296 175.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.5 144.74 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.34 1.056 . . . . 0.0 112.54 -178.4 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.3 mt -103.97 -4.58 23.19 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -173.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.0 mmm-85 -133.24 156.35 47.7 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.251 1.82 . . . . 0.0 111.811 -178.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.6 m -136.3 149.11 48.28 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.052 1.741 . . . . 0.0 110.49 173.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.2 m 50.58 38.37 18.61 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.786 1.234 . . . . 0.0 112.632 -173.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 p -70.45 -29.62 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -167.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.0 p30 -149.5 174.2 12.76 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.838 1.255 . . . . 0.0 111.857 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 55.8 p-80 -63.46 -33.42 75.52 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -66.78 -41.42 87.7 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.372 0.987 . . . . 0.0 112.011 178.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -68.41 -39.69 81.54 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.303 0.641 . . . . 0.0 111.727 177.025 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.1 t -72.69 -33.35 44.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 121.448 -0.783 . . . . 0.0 111.987 175.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.7 -41.74 95.81 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 120.809 -1.182 . . . . 0.0 112.092 171.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -61.46 -42.82 99.36 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.951 0.5 . . . . 0.0 111.991 170.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.47 -42.34 98.6 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.57 -0.706 . . . . 0.0 112.009 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.2 mt -61.66 -45.79 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.21 1.004 . . . . 0.0 111.166 174.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.95 -39.63 94.58 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.21 0.914 . . . . 0.0 112.781 176.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -62.79 -43.76 97.95 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.421 -0.8 . . . . 0.0 111.281 174.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.6 mt -63.37 -45.9 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.437 0.695 . . . . 0.0 111.575 174.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.7 tp -56.9 -45.1 82.86 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.872 1.269 . . . . 0.0 111.417 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 -72.86 -41.34 64.87 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 175.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -61.68 -40.73 96.01 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.014 0.925 . . . . 0.0 112.872 177.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.0 p -80.92 -8.92 59.86 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 174.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 52.64 33.83 14.56 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.635 1.574 . . . . 0.0 113.239 -173.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.8 p -100.17 173.31 6.69 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.51 1.124 . . . . 0.0 113.165 -173.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.9 p -98.78 158.09 15.86 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.944 0.898 . . . . 0.0 110.259 168.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.4 -33.73 74.18 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.075 -1.015 . . . . 0.0 112.267 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -68.07 -39.2 83.0 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.36 0.664 . . . . 0.0 112.083 173.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -69.09 -36.84 78.04 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.653 -0.654 . . . . 0.0 112.018 174.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.26 -39.56 82.18 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.233 -0.917 . . . . 0.0 111.757 174.692 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.74 -48.68 80.36 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.426 -0.796 . . . . 0.0 111.742 170.018 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.19 -41.44 96.82 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 177.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.0 -39.93 90.71 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.341 0.657 . . . . 0.0 112.295 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 79.1 mmm -67.06 -43.86 81.6 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.254 -0.904 . . . . 0.0 111.941 174.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.9 -37.58 84.64 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.371 0.987 . . . . 0.0 112.286 176.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.1 t -71.11 -27.45 63.6 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.29 1.036 . . . . 0.0 113.449 177.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.8 p -98.52 -2.41 38.85 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.75 25.02 75.03 Favored Glycine 0 CA--C 1.536 1.351 0 O-C-N 121.341 -0.849 . . . . 0.0 113.815 -177.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.69 7.05 79.23 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 116.081 1.192 . . . . 0.0 116.081 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -74.14 89.5 1.99 Allowed 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 118.711 1.255 . . . . 0.0 109.791 173.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.5 p -56.62 -35.3 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.794 0.838 . . . . 0.0 113.023 -172.227 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -60.78 -40.55 93.01 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.121 0.873 . . . . 0.0 113.337 173.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.6 mt -73.9 -36.09 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 122.944 0.497 . . . . 0.0 109.915 176.383 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.06 -47.14 81.29 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.2 -0.937 . . . . 0.0 111.738 177.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.0 pt -68.06 -37.76 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.396 -0.815 . . . . 0.0 111.343 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.84 91.86 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.917 0.78 . . . . 0.0 112.622 171.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -67.63 -39.33 84.65 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.469 1.108 . . . . 0.0 112.131 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.94 -38.58 83.0 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.511 0.725 . . . . 0.0 112.383 174.619 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 80.3 mt -72.05 -30.17 64.89 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 175.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.9 m -88.99 19.62 4.05 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.517 1.527 . . . . 0.0 113.798 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -76.65 70.69 3.18 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.248 1.419 . . . . 0.0 111.669 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -142.89 174.19 10.88 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.368 1.867 . . . . 0.0 112.085 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.1 t -128.59 151.37 49.54 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.139 1.375 . . . . 0.0 112.431 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.4 p -85.75 -6.33 59.13 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.307 1.443 . . . . 0.0 113.271 170.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.93 38.59 0.65 Allowed Glycine 0 CA--C 1.541 1.666 0 C-N-CA 126.381 1.943 . . . . 0.0 115.88 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.57 -8.49 67.19 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.021 1.296 . . . . 0.0 115.328 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.3 m -111.65 33.36 4.8 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.981 1.713 . . . . 0.0 112.736 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 66.56 -107.39 1.97 Allowed Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.784 1.183 . . . . 0.0 112.812 175.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.14 -6.0 59.93 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 124.389 0.995 . . . . 0.0 114.881 173.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.7 t -125.87 168.08 14.35 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.003 1.721 . . . . 0.0 112.0 175.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 pptp? -129.78 155.44 45.94 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.684 1.594 . . . . 0.0 113.01 -175.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.8 mt -80.66 136.83 36.27 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.436 1.495 . . . . 0.0 111.816 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.33 -175.91 45.4 Favored Glycine 0 CA--C 1.539 1.554 0 C-N-CA 124.592 1.092 . . . . 0.0 115.623 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.95 153.88 53.11 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.861 1.219 . . . . 0.0 114.08 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.7 m -80.25 144.27 33.02 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.537 1.135 . . . . 0.0 112.74 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -78.21 172.28 55.2 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.707 1.146 . . . . 0.0 114.584 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.63 163.86 31.98 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.066 1.317 . . . . 0.0 113.059 177.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.7 t -152.08 160.38 43.45 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.002 1.321 . . . . 0.0 112.12 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.0 ttm-85 -70.97 -27.23 63.57 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.124 1.37 . . . . 0.0 113.195 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -140.87 147.14 38.46 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.009 1.724 . . . . 0.0 110.993 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -72.47 -26.27 61.75 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -174.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.8 mt -134.82 156.99 47.94 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.181 1.793 . . . . 0.0 111.717 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.1 t -147.94 161.81 40.58 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.233 1.413 . . . . 0.0 111.689 174.676 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.9 m -80.9 159.35 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.864 1.266 . . . . 0.0 113.337 -176.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -83.61 162.21 20.88 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.816 1.246 . . . . 0.0 111.53 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.55 152.84 49.77 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 123.838 0.732 . . . . 0.0 114.241 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 99.1 mmm -81.3 -17.27 49.89 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -176.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.5 tp 51.45 50.93 17.85 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.437 1.895 . . . . 0.0 114.347 174.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -68.74 -27.94 66.37 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 178.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.33 134.73 57.27 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.06 1.344 . . . . 0.0 112.957 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.7 m -73.96 -37.57 64.46 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 -174.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -67.38 -50.9 57.78 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.262 -0.899 . . . . 0.0 111.642 -177.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.5 p -61.59 -31.5 71.57 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.501 -0.749 . . . . 0.0 112.997 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -63.97 -43.34 96.05 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.216 0.916 . . . . 0.0 111.809 168.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -66.08 -39.23 89.86 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 118.469 -0.777 . . . . 0.0 112.585 174.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.7 mm -60.87 -49.56 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-N 119.477 1.035 . . . . 0.0 110.11 172.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.47 -44.14 96.21 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.91 0.777 . . . . 0.0 111.524 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -62.84 -47.0 85.29 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.8 0.727 . . . . 0.0 111.466 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -41.88 99.6 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 121.286 -0.884 . . . . 0.0 111.779 177.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.06 -49.48 61.08 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.344 1.058 . . . . 0.0 111.744 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -61.6 -42.4 98.81 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.631 0.773 . . . . 0.0 111.426 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -69.67 -39.8 76.79 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.716 -0.615 . . . . 0.0 112.236 176.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.9 ttt-85 -58.36 -44.53 88.84 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.834 0.854 . . . . 0.0 112.629 174.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.3 t -87.74 -38.65 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -174.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.0 m -118.08 -11.82 10.13 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -171.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -99.68 -166.15 29.48 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 125.05 1.31 . . . . 0.0 112.762 171.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.6 m -83.79 -25.44 30.43 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -177.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.5 t -161.1 159.01 28.6 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.535 1.134 . . . . 0.0 112.836 -174.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.13 -6.79 55.81 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.696 1.198 . . . . 0.0 113.542 169.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -74.98 37.1 0.12 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.676 1.59 . . . . 0.0 114.128 -176.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 73.3 p -84.84 -1.24 56.22 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.199 1.4 . . . . 0.0 114.273 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.269 0 C-N-CA 125.533 1.533 . . . . 0.0 112.949 177.42 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.7 m . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.8 m -131.0 157.75 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 125.527 1.531 . . . . 0.0 111.868 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -146.75 165.76 28.66 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.985 1.314 . . . . 0.0 111.998 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.61 151.46 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 126.449 1.9 . . . . 0.0 111.656 -177.011 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.6 tp -73.5 -38.02 65.49 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.412 0.685 . . . . 0.0 112.584 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 94.5 mtm-85 -140.07 147.58 40.51 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.164 1.786 . . . . 0.0 111.35 177.087 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.7 p -81.73 162.49 22.94 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.932 1.293 . . . . 0.0 112.597 174.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.6 p -147.98 159.31 44.03 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.845 1.258 . . . . 0.0 112.776 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.9 t -80.87 141.26 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.589 1.156 . . . . 0.0 110.176 175.25 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -137.83 150.86 47.52 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.886 1.274 . . . . 0.0 111.831 -177.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -60.54 -20.29 59.86 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -54.47 -30.65 53.7 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 118.794 0.725 . . . . 0.0 112.736 172.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -71.29 -44.78 64.54 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.985 0.812 . . . . 0.0 111.198 -174.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -74.45 -35.53 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 122.927 0.491 . . . . 0.0 111.803 175.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -60.89 -46.56 90.15 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.086 0.857 . . . . 0.0 112.099 171.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -64.36 -40.39 95.76 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.086 0.954 . . . . 0.0 112.38 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.54 -42.86 95.44 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.073 0.851 . . . . 0.0 111.85 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.1 mt -62.2 -47.77 91.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.701 0.8 . . . . 0.0 110.764 174.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.76 -39.94 95.73 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.089 0.858 . . . . 0.0 112.823 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -64.27 -44.75 90.77 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.3 -0.875 . . . . 0.0 111.92 175.27 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.8 mt -63.3 -44.68 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 118.72 0.691 . . . . 0.0 110.806 174.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 42.2 tp -56.19 -45.55 79.74 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.445 1.098 . . . . 0.0 111.85 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -73.12 -43.97 60.89 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.455 0.702 . . . . 0.0 112.641 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -61.91 -39.33 91.62 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.921 0.888 . . . . 0.0 112.732 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.6 p -80.85 -5.88 57.88 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.4 t30 50.83 38.94 21.13 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.376 1.471 . . . . 0.0 113.124 -178.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.9 m -118.74 171.61 8.08 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.847 1.259 . . . . 0.0 112.771 -170.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.3 p -87.88 161.89 17.24 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.471 0.709 . . . . 0.0 110.935 170.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -65.61 -31.15 72.02 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.117 -0.99 . . . . 0.0 111.622 175.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -67.92 -43.0 80.2 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.639 -0.663 . . . . 0.0 112.089 172.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -64.13 -38.92 92.79 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.781 0.719 . . . . 0.0 111.626 174.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -64.29 -44.57 91.23 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.309 0.504 . . . . 0.0 111.733 174.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.82 -44.42 96.94 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.951 0.796 . . . . 0.0 111.657 174.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.04 -39.86 95.03 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.48 -41.82 88.39 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.744 -0.598 . . . . 0.0 112.128 175.017 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.0 mmm -62.11 -43.07 99.63 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.614 -0.679 . . . . 0.0 111.543 173.228 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -64.82 -42.43 94.98 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.332 -0.855 . . . . 0.0 111.987 175.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.1 t -67.45 -32.4 73.24 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.238 1.015 . . . . 0.0 113.221 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.6 p -97.9 3.08 49.77 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.34 21.35 64.91 Favored Glycine 0 CA--C 1.533 1.21 0 O-C-N 121.353 -0.842 . . . . 0.0 114.289 174.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.41 -2.95 83.65 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 116.115 1.206 . . . . 0.0 116.115 174.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -75.92 108.53 8.86 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.492 1.646 . . . . 0.0 110.425 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.0 p -61.14 -36.14 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -171.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -62.1 -40.3 95.41 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 121.24 -0.913 . . . . 0.0 113.305 175.414 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.0 mt -74.96 -35.37 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.648 0.779 . . . . 0.0 109.865 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.97 77.88 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.496 -0.753 . . . . 0.0 112.05 175.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 pt -67.74 -35.24 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 121.208 -0.933 . . . . 0.0 111.348 176.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.33 -42.94 92.62 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.34 0.973 . . . . 0.0 112.854 169.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -66.36 -35.5 80.5 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.785 0.834 . . . . 0.0 112.744 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.2 mt -72.57 -36.52 68.21 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 175.284 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.5 mt -85.36 -45.57 11.77 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -175.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.6 m -120.35 4.24 10.76 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.21 1.404 . . . . 0.0 114.722 -169.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.7 tttt 51.26 27.46 3.57 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.216 1.806 . . . . 0.0 115.22 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -141.07 160.11 40.79 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.786 2.034 . . . . 0.0 110.533 178.297 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.4 p -78.63 -26.36 45.21 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.755 0.822 . . . . 0.0 112.833 176.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.9 m -70.72 156.9 38.91 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.529 1.532 . . . . 0.0 112.807 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -156.56 176.64 33.85 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.646 1.117 . . . . 0.0 113.74 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.59 166.39 53.03 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.284 0.945 . . . . 0.0 114.683 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.7 t -146.55 149.5 33.72 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.308 1.443 . . . . 0.0 111.906 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.35 -9.02 87.07 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 124.233 0.921 . . . . 0.0 114.599 172.103 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.03 20.97 80.18 Favored Glycine 0 CA--C 1.539 1.534 0 CA-C-N 118.442 1.121 . . . . 0.0 114.581 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.1 m -67.5 146.97 53.42 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.222 1.409 . . . . 0.0 113.403 -175.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.87 168.3 23.38 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.771 1.628 . . . . 0.0 112.027 172.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 97.3 mt -120.71 155.21 34.38 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.218 1.407 . . . . 0.0 111.793 175.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.51 178.58 51.69 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.683 1.135 . . . . 0.0 114.579 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.33 170.95 44.52 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 125.095 1.331 . . . . 0.0 114.584 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.2 m -87.09 -9.52 55.16 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -172.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.88 -153.87 53.1 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.025 0.822 . . . . 0.0 113.137 -173.355 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.58 33.56 67.38 Favored Glycine 0 CA--C 1.536 1.403 0 O-C-N 122.034 -0.686 . . . . 0.0 114.632 175.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.0 t -56.09 137.87 50.58 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.512 1.125 . . . . 0.0 113.376 -176.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -88.81 -13.8 38.5 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.845 1.258 . . . . 0.0 112.862 172.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -84.71 -33.7 23.07 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.967 1.307 . . . . 0.0 112.173 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -68.26 134.8 50.95 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.835 0.854 . . . . 0.0 111.972 174.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.8 tp -151.78 140.38 20.72 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.757 1.223 . . . . 0.0 111.643 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 84.2 p -145.22 157.23 44.12 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.556 1.542 . . . . 0.0 111.391 170.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.7 m -138.23 165.74 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 125.312 1.445 . . . . 0.0 112.003 -177.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -65.87 142.54 57.88 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.356 0.662 . . . . 0.0 111.841 173.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 68.96 15.63 69.57 Favored Glycine 0 CA--C 1.542 1.74 0 N-CA-C 115.421 0.928 . . . . 0.0 115.421 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.2 ttt -70.0 138.23 52.04 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.629 1.214 . . . . 0.0 112.119 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.9 tp -74.02 140.4 45.4 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.225 1.01 . . . . 0.0 111.961 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -146.9 167.24 24.43 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.44 1.496 . . . . 0.0 111.773 176.381 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -140.5 157.97 44.7 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.879 1.272 . . . . 0.0 111.756 173.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.8 t -155.08 147.0 23.48 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.225 1.41 . . . . 0.0 111.69 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -62.7 -23.23 67.04 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.643 -0.661 . . . . 0.0 112.517 169.716 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.1 m -58.63 -48.99 79.15 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.105 0.866 . . . . 0.0 112.084 172.66 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -71.4 -32.44 68.43 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.171 -0.956 . . . . 0.0 112.991 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -64.48 -47.15 80.04 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.002 0.819 . . . . 0.0 111.501 173.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.0 mm -62.51 -44.26 99.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.521 0.728 . . . . 0.0 110.162 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 58.6 tp -58.15 -53.78 54.39 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.374 0.988 . . . . 0.0 112.204 176.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -68.07 -40.49 82.73 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.751 0.705 . . . . 0.0 111.567 -174.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -65.2 -35.29 80.59 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.969 0.804 . . . . 0.0 112.26 173.008 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 26.3 tp -70.79 -36.07 72.84 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.448 1.022 . . . . 0.0 112.275 175.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -62.79 -45.83 90.84 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.063 0.945 . . . . 0.0 111.134 173.758 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -61.53 -50.48 72.51 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 117.923 0.329 . . . . 0.0 111.475 174.301 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.9 ttt85 -60.04 -41.13 91.63 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.907 1.283 . . . . 0.0 113.796 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.6 t -96.94 -34.53 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.611 0.765 . . . . 0.0 112.464 -173.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.2 m -116.61 -1.64 12.12 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -172.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.08 153.25 16.47 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 124.565 1.079 . . . . 0.0 113.26 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.5 m -65.48 -22.25 66.72 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -175.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.4 p -90.82 -4.11 56.87 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.778 1.631 . . . . 0.0 113.857 174.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 48.07 -143.03 0.45 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.711 1.604 . . . . 0.0 112.962 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -74.12 -29.83 62.01 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.167 -0.958 . . . . 0.0 112.973 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.0 t -158.92 143.72 15.88 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.111 1.364 . . . . 0.0 111.811 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.225 0 C-N-CA 126.266 1.827 . . . . 0.0 112.032 177.74 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.2 p . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 119.51 -0.281 . . . . 0.0 111.638 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.6 m -76.64 156.12 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.72 1.208 . . . . 0.0 112.506 177.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -76.22 155.78 34.15 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.733 0.813 . . . . 0.0 112.253 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.0 mm -90.67 136.25 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.738 1.215 . . . . 0.0 110.874 -173.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.1 mt -75.8 155.63 35.26 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.896 0.878 . . . . 0.0 112.58 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -69.04 146.08 52.97 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.924 0.889 . . . . 0.0 111.673 176.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.9 p 40.03 -105.74 0.05 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.081 2.152 . . . . 0.0 114.155 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.2 m -151.69 141.77 22.19 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.824 2.05 . . . . 0.0 110.023 171.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.4 m -112.37 -1.52 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 -171.346 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -54.97 -49.85 70.4 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.199 1.0 . . . . 0.0 112.964 -175.717 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -56.53 -45.06 81.34 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.931 0.892 . . . . 0.0 113.151 175.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -62.55 -47.75 82.52 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.592 0.757 . . . . 0.0 111.175 176.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.01 -41.65 98.29 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.354 0.524 . . . . 0.0 112.089 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.9 t -67.34 -47.67 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.648 0.779 . . . . 0.0 112.027 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -68.57 -37.16 79.65 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.473 -0.767 . . . . 0.0 112.333 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -62.36 -42.13 99.16 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.866 0.867 . . . . 0.0 112.151 169.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.11 -38.75 92.19 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 118.786 0.721 . . . . 0.0 111.602 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.7 mt -59.12 -47.78 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.721 0.809 . . . . 0.0 111.211 172.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.24 -35.31 80.09 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.699 1.136 . . . . 0.0 113.693 175.432 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -63.64 -44.37 94.08 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.273 -0.892 . . . . 0.0 111.015 175.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 53.9 mt -63.72 -43.83 98.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.671 0.788 . . . . 0.0 111.18 173.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.0 tp -58.41 -43.31 88.56 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.608 0.763 . . . . 0.0 112.059 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -68.64 -47.11 67.42 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.08 0.952 . . . . 0.0 112.375 175.305 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -62.34 -41.07 98.26 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.15 0.98 . . . . 0.0 113.233 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.7 p -84.63 -11.13 56.55 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 52.02 41.33 29.72 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.515 1.526 . . . . 0.0 113.065 174.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.0 t -131.26 -176.09 3.91 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.786 1.234 . . . . 0.0 111.936 178.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.4 p -85.15 161.05 19.8 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.626 0.77 . . . . 0.0 112.568 -176.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.13 -33.92 77.18 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 121.294 -0.879 . . . . 0.0 111.259 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -64.74 -46.65 81.32 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 118.864 -0.588 . . . . 0.0 111.341 172.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -64.43 -32.14 73.63 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.257 0.935 . . . . 0.0 112.627 177.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.41 -44.07 75.84 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.163 0.892 . . . . 0.0 112.101 171.288 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.04 -43.43 98.9 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.081 0.855 . . . . 0.0 111.412 174.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.67 -41.84 98.12 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.298 1.039 . . . . 0.0 112.8 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.84 -39.67 87.71 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.19 0.596 . . . . 0.0 111.963 175.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.0 mmm -65.95 -42.68 89.68 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.701 0.8 . . . . 0.0 112.142 174.343 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -65.54 -38.78 90.62 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.506 -0.746 . . . . 0.0 111.883 175.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -70.07 -20.72 63.21 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.4 p -113.54 3.59 15.8 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.08 26.13 64.98 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 123.791 0.71 . . . . 0.0 114.272 175.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.07 8.99 86.74 Favored Glycine 0 CA--C 1.535 1.305 0 N-CA-C 115.718 1.047 . . . . 0.0 115.718 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -78.41 99.77 6.54 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.956 1.378 . . . . 0.0 109.774 174.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 67.0 t -54.59 -42.06 58.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 123.789 0.836 . . . . 0.0 111.886 -172.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -61.25 -41.76 97.47 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.249 0.931 . . . . 0.0 113.376 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.2 mt -74.16 -37.33 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.347 0.659 . . . . 0.0 109.753 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.27 -49.61 73.41 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.668 0.787 . . . . 0.0 111.842 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 pt -68.58 -35.42 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-O 118.668 -0.682 . . . . 0.0 111.178 177.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.48 -46.08 91.42 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.473 1.033 . . . . 0.0 112.835 171.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -66.36 -40.39 89.76 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 121.357 -0.84 . . . . 0.0 111.851 177.324 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.4 tp -68.13 -34.75 76.93 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.012 0.925 . . . . 0.0 112.807 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 70.9 mt -71.76 -34.46 69.49 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.743 0.817 . . . . 0.0 112.468 170.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.3 m -64.83 -20.25 66.3 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 178.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -74.94 -6.01 46.91 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.81 1.244 . . . . 0.0 113.983 169.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 56.73 60.12 3.22 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.486 1.914 . . . . 0.0 113.585 -177.069 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.0 p 53.93 39.81 30.88 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 116.056 1.872 . . . . 0.0 116.056 167.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.8 m -66.07 156.5 33.66 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.025 0.93 . . . . 0.0 113.03 174.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.18 -172.14 43.15 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.61 1.1 . . . . 0.0 114.412 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.68 168.76 44.1 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 124.628 1.109 . . . . 0.0 113.41 -170.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 84.1 p -149.79 163.3 38.37 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.767 1.227 . . . . 0.0 113.493 -174.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.48 174.76 42.07 Favored Glycine 0 CA--C 1.54 1.637 0 C-N-CA 124.991 1.281 . . . . 0.0 114.787 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -77.4 -177.67 46.68 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 124.589 1.09 . . . . 0.0 114.39 176.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 92.7 p -69.96 154.87 41.39 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.899 0.88 . . . . 0.0 112.792 176.192 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.329 0.3 OUTLIER 48.01 30.96 2.21 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 127.311 2.244 . . . . 0.0 116.8 170.126 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.3 pp -70.86 162.57 29.01 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.028 1.331 . . . . 0.0 113.512 177.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.71 153.05 48.44 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.188 0.899 . . . . 0.0 113.896 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.18 164.81 54.76 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 124.517 1.056 . . . . 0.0 114.42 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.0 m -134.74 155.01 51.31 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.786 1.635 . . . . 0.0 112.104 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.48 158.37 53.32 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.163 0.887 . . . . 0.0 113.79 176.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.99 -177.63 48.39 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.762 1.173 . . . . 0.0 113.45 -179.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.4 m 53.75 38.76 29.21 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.551 1.54 . . . . 0.0 114.334 176.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -77.26 -21.85 53.04 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -174.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -69.98 135.88 49.86 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.916 1.286 . . . . 0.0 111.544 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -75.83 148.98 37.98 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.641 1.176 . . . . 0.0 113.135 175.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -149.9 160.07 43.88 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.307 1.443 . . . . 0.0 112.54 176.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.7 m -68.29 142.12 55.65 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.789 0.835 . . . . 0.0 112.235 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.6 m -74.64 -32.96 30.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 N-CA-C 113.734 1.012 . . . . 0.0 113.734 -170.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -154.66 168.02 28.2 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.015 1.726 . . . . 0.0 112.495 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.5 174.72 46.18 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.881 1.229 . . . . 0.0 112.732 178.414 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.3 mtp -63.0 -24.89 68.13 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -172.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.6 tp -60.75 -14.63 22.49 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.033 1.333 . . . . 0.0 113.957 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -55.89 -21.37 19.89 Favored 'General case' 0 CA--C 1.551 1.017 0 O-C-N 121.277 -0.889 . . . . 0.0 113.234 169.554 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -17.14 63.15 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 172.153 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.4 m -134.49 71.36 1.45 Allowed 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 127.496 2.318 . . . . 0.0 108.55 172.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.96 -26.59 67.64 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -169.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.0 p -57.17 -42.15 80.56 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.713 -1.242 . . . . 0.0 112.257 169.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -71.62 -31.76 67.24 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.163 0.985 . . . . 0.0 112.129 172.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -65.22 -41.56 94.3 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.928 1.24 . . . . 0.0 112.229 171.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.2 -47.13 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 119.389 0.995 . . . . 0.0 109.921 172.452 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 58.5 tp -55.77 -47.05 77.7 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.84 0.746 . . . . 0.0 112.175 174.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -61.61 -50.54 72.15 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.511 0.724 . . . . 0.0 111.519 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -64.4 -36.38 83.97 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.295 -0.878 . . . . 0.0 112.029 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.7 tp -65.78 -40.93 92.44 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.313 0.96 . . . . 0.0 111.557 174.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.5 ttp180 -63.09 -48.92 76.56 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.73 0.696 . . . . 0.0 111.195 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -66.6 -42.79 86.37 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.448 0.567 . . . . 0.0 111.735 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -62.3 -39.17 92.11 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.121 0.968 . . . . 0.0 112.879 177.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.0 t -83.89 -48.2 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.553 0.741 . . . . 0.0 112.512 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.9 m -87.7 -20.92 25.57 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -172.861 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 78.81 160.66 18.11 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.614 1.102 . . . . 0.0 113.935 -175.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.1 m -75.17 -21.74 58.55 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -176.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.7 t -153.68 166.0 34.18 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.557 1.543 . . . . 0.0 111.375 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -142.72 156.16 44.98 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.398 1.479 . . . . 0.0 112.304 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -107.46 154.94 20.61 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.025 1.33 . . . . 0.0 111.889 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 65.6 p -79.94 -14.34 58.68 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.345 0 C-N-CA 126.391 1.877 . . . . 0.0 111.935 178.681 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.7 m -131.52 157.83 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 125.602 1.561 . . . . 0.0 111.995 177.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 p -74.76 157.82 34.55 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.442 1.097 . . . . 0.0 112.977 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.8 mm -84.4 133.49 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.79 0.836 . . . . 0.0 110.842 -174.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.6 mt -133.36 148.73 51.86 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.871 1.668 . . . . 0.0 110.842 177.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -137.31 144.14 42.46 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.449 1.5 . . . . 0.0 111.814 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.0 p -94.74 -18.58 21.14 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.151 1.38 . . . . 0.0 113.83 175.096 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.2 t -151.99 163.71 38.71 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.998 1.719 . . . . 0.0 111.233 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p -117.98 -2.65 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 125.927 1.691 . . . . 0.0 113.079 175.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -60.87 -28.71 69.06 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 120.517 -1.364 . . . . 0.0 113.572 -173.367 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.1 p80 -66.44 -21.86 66.21 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.963 1.305 . . . . 0.0 113.931 175.347 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -58.85 -42.11 88.55 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.985 0.914 . . . . 0.0 112.244 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.21 -32.03 71.03 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.526 0.73 . . . . 0.0 112.326 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.6 t -71.13 -45.46 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.208 0.603 . . . . 0.0 110.636 174.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.19 -41.44 97.07 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.844 -0.535 . . . . 0.0 112.289 175.196 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -61.47 -42.6 99.03 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.654 0.781 . . . . 0.0 111.831 173.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.5 -40.29 85.19 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.805 0.729 . . . . 0.0 112.25 176.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.2 mt -58.54 -48.74 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 123.535 0.734 . . . . 0.0 110.207 171.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -69.31 -34.62 74.95 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.022 0.828 . . . . 0.0 113.157 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -60.26 -51.68 68.51 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.35 0.66 . . . . 0.0 110.786 169.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 55.7 mt -59.45 -44.3 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 118.632 0.651 . . . . 0.0 111.148 176.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.8 tp -57.14 -44.97 83.88 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.743 1.217 . . . . 0.0 112.18 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.3 mtm105 -73.29 -41.19 63.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.651 0.78 . . . . 0.0 113.098 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -63.99 -36.39 83.83 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.501 1.046 . . . . 0.0 112.583 177.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.1 p -82.47 -9.71 59.32 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 173.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.4 t30 50.34 46.14 25.39 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.31 1.444 . . . . 0.0 112.279 -172.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.9 t -114.47 176.44 5.05 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.541 1.136 . . . . 0.0 112.949 -169.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 t -111.22 150.31 29.73 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.993 1.317 . . . . 0.0 110.281 168.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -64.23 -27.73 69.26 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.913 -1.117 . . . . 0.0 112.759 -169.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -65.71 -42.5 91.05 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.388 -0.82 . . . . 0.0 112.233 171.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -72.1 -33.54 67.93 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.541 -0.725 . . . . 0.0 112.068 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -63.28 -43.85 96.74 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.643 -0.661 . . . . 0.0 111.048 171.187 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -62.74 -43.6 98.38 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.273 -0.892 . . . . 0.0 111.545 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.95 -41.05 95.54 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.16 -40.37 90.47 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.333 0.653 . . . . 0.0 112.184 175.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 82.3 mmm -63.5 -44.39 94.48 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.414 -0.804 . . . . 0.0 111.74 173.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.72 -41.2 99.03 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.005 0.82 . . . . 0.0 111.946 176.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.1 t -66.54 -30.52 70.85 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.028 0.931 . . . . 0.0 113.412 176.661 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.6 p -101.84 5.28 41.0 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -177.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.53 21.45 69.4 Favored Glycine 0 CA--C 1.537 1.413 0 O-C-N 121.245 -0.909 . . . . 0.0 114.567 175.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.52 6.65 83.26 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 124.482 1.039 . . . . 0.0 114.615 -178.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.0 mtt85 -77.3 97.04 4.74 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.24 1.52 . . . . 0.0 110.846 174.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.6 p -53.88 -37.75 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 123.51 0.724 . . . . 0.0 112.561 178.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -60.79 -42.58 97.86 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.245 0.93 . . . . 0.0 113.417 176.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.2 mm -78.93 -33.89 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.337 0.655 . . . . 0.0 110.82 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.82 -50.27 72.99 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.436 -0.79 . . . . 0.0 111.198 174.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.3 pt -68.69 -34.47 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 121.417 -0.802 . . . . 0.0 111.611 177.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.72 -44.12 90.34 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.307 0.958 . . . . 0.0 112.544 169.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -67.02 -30.81 71.0 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.156 0.982 . . . . 0.0 113.2 176.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.22 -36.82 74.8 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.708 0.685 . . . . 0.0 112.589 169.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.3 mt -88.6 -24.49 22.82 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -173.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.2 p -62.65 -17.33 60.24 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.272 1.582 . . . . 0.0 115.272 -172.029 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -69.77 -16.47 63.3 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 173.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -73.07 145.9 46.22 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.944 0.897 . . . . 0.0 111.654 177.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.8 p -138.6 154.25 48.68 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.125 1.37 . . . . 0.0 112.874 -176.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.9 m -79.84 173.47 12.56 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.768 1.627 . . . . 0.0 111.69 171.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.63 145.34 28.48 Favored Glycine 0 CA--C 1.537 1.44 0 O-C-N 121.677 -0.64 . . . . 0.0 112.955 172.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.42 23.29 73.47 Favored Glycine 0 CA--C 1.539 1.574 0 O-C-N 122.229 -0.571 . . . . 0.0 113.841 -171.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.5 m 56.25 29.79 15.51 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.399 1.88 . . . . 0.0 114.356 -172.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.02 -171.58 35.17 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.83 1.205 . . . . 0.0 114.502 176.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -167.97 176.31 42.58 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.236 0.922 . . . . 0.0 113.642 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.7 m -74.09 -15.23 61.06 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -172.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -134.69 140.8 46.26 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.771 1.628 . . . . 0.0 111.222 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.0 pp -139.44 167.62 21.68 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.686 1.595 . . . . 0.0 111.914 175.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.64 -169.42 47.83 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 124.084 0.85 . . . . 0.0 114.656 -179.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.68 -179.31 27.87 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.161 1.362 . . . . 0.0 115.248 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.9 m -127.88 19.4 6.6 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.295 1.438 . . . . 0.0 113.526 -174.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.89 -160.67 52.15 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 124.601 1.096 . . . . 0.0 114.004 -175.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.74 163.52 53.5 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.14 0.876 . . . . 0.0 114.245 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.5 p -67.38 -26.81 66.64 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.43 1.092 . . . . 0.0 113.38 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -119.98 135.53 54.88 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.579 1.952 . . . . 0.0 109.798 169.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -139.32 154.41 47.9 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.206 1.803 . . . . 0.0 111.575 -177.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -147.29 157.81 43.73 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.517 1.527 . . . . 0.0 111.276 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.9 mt 53.34 34.56 18.19 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.894 1.678 . . . . 0.0 113.519 -174.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.3 m -62.31 147.43 48.22 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.322 1.449 . . . . 0.0 113.34 -175.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.7 m -76.88 161.15 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 123.99 0.916 . . . . 0.0 112.46 176.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 161.37 31.16 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.535 1.134 . . . . 0.0 113.252 178.169 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.77 175.74 47.72 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.949 1.262 . . . . 0.0 112.977 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.3 ttt -72.8 127.77 33.53 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.678 0.791 . . . . 0.0 111.875 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.3 tp -151.79 135.75 16.49 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.963 1.705 . . . . 0.0 109.78 172.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -69.35 151.97 45.53 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.285 0.634 . . . . 0.0 112.237 178.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -145.94 123.99 12.11 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.811 0.845 . . . . 0.0 113.259 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.0 p -159.74 166.67 30.0 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.945 2.098 . . . . 0.0 110.131 170.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -68.59 130.33 42.53 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.287 -0.883 . . . . 0.0 112.556 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.1 p -77.42 -48.27 17.65 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -70.37 -45.46 65.99 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -167.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -66.63 -44.42 82.05 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.754 1.161 . . . . 0.0 111.039 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 42.8 mm -59.35 -49.73 82.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.055 0.942 . . . . 0.0 110.475 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.83 -45.99 83.81 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.664 0.666 . . . . 0.0 111.48 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -61.25 -49.86 75.38 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.486 1.039 . . . . 0.0 111.341 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.6 tpp85 -70.53 -31.53 68.63 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.576 1.08 . . . . 0.0 113.085 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.0 tp -67.96 -40.18 83.23 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.16 0.891 . . . . 0.0 111.881 172.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.3 ttp85 -65.19 -42.61 93.43 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.691 1.196 . . . . 0.0 110.966 175.595 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -60.99 -51.72 68.04 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.376 0.535 . . . . 0.0 111.019 175.636 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -61.44 -41.43 97.19 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.4 t -86.78 -39.61 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -174.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.7 m -111.53 -11.71 14.04 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -169.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 123.67 136.87 4.83 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 125.207 1.384 . . . . 0.0 113.511 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.8 m -79.07 70.48 5.43 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.282 1.433 . . . . 0.0 113.211 -172.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.2 t -142.37 154.2 44.44 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.611 1.564 . . . . 0.0 111.446 175.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -128.13 16.52 6.7 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.537 1.535 . . . . 0.0 112.848 174.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -72.14 151.42 43.02 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.085 0.954 . . . . 0.0 112.244 -178.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 37.9 m -67.95 150.49 48.43 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.566 1.146 . . . . 0.0 113.148 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.378 0 C-N-CA 124.813 1.245 . . . . 0.0 112.926 175.748 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 120.636 0.255 . . . . 0.0 111.596 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.1 t -75.36 140.01 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.133 1.373 . . . . 0.0 110.985 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.0 m -79.47 60.46 3.22 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.187 1.395 . . . . 0.0 112.512 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.86 155.62 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.453 1.101 . . . . 0.0 113.046 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.6 mt -123.86 160.73 26.8 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.928 1.691 . . . . 0.0 111.466 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 53.06 38.55 27.63 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.998 1.719 . . . . 0.0 113.565 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.5 p -69.71 159.72 32.98 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.452 1.501 . . . . 0.0 113.189 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.0 t -71.32 155.0 41.18 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.808 0.843 . . . . 0.0 113.028 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.1 p -107.43 -0.71 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.968 1.707 . . . . 0.0 112.989 174.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -54.45 -45.72 73.14 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.869 1.267 . . . . 0.0 113.457 -171.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -66.01 -37.57 86.25 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.593 1.157 . . . . 0.0 112.87 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -67.07 -37.22 83.64 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 118.495 0.588 . . . . 0.0 111.059 173.743 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -66.96 -42.39 85.3 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.357 0.663 . . . . 0.0 112.251 176.185 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 m -71.11 -32.3 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 CA-C-N 119.571 1.078 . . . . 0.0 113.161 173.221 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -68.51 -39.7 81.13 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.804 1.184 . . . . 0.0 112.557 172.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -60.89 -43.01 99.09 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.344 -0.848 . . . . 0.0 111.258 169.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.78 98.26 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.791 -0.568 . . . . 0.0 111.801 176.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.0 mt -58.08 -45.81 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.037 0.935 . . . . 0.0 111.415 170.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -36.75 83.58 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.394 0.997 . . . . 0.0 112.592 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -67.88 -40.3 83.59 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.208 -0.933 . . . . 0.0 111.732 173.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.3 mt -62.28 -45.15 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.398 0.679 . . . . 0.0 110.754 172.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.7 tp -58.56 -44.76 89.83 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.719 1.208 . . . . 0.0 111.814 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.7 mtt-85 -69.5 -41.56 75.91 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.521 0.728 . . . . 0.0 112.779 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -65.21 -45.51 84.45 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.175 0.99 . . . . 0.0 112.812 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.7 p -75.31 -13.44 60.42 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.295 13.9 p30 51.27 33.87 10.52 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.664 1.586 . . . . 0.0 114.334 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.1 m -114.74 173.35 6.52 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.273 1.429 . . . . 0.0 111.978 177.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.5 p -79.31 160.57 26.72 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.543 0.687 . . . . 0.0 111.593 174.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -64.37 -31.28 72.42 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.459 -0.775 . . . . 0.0 111.581 172.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -67.83 -43.87 78.55 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.225 0.61 . . . . 0.0 111.841 176.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.13 -33.0 72.76 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.258 -0.901 . . . . 0.0 111.826 175.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -65.3 -41.05 94.46 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.391 -0.818 . . . . 0.0 111.628 171.046 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.52 -49.08 78.98 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.589 0.756 . . . . 0.0 111.813 172.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.34 -39.98 84.91 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 177.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.06 -42.69 80.1 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 175.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.3 mmm -62.39 -42.34 99.35 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.058 -1.026 . . . . 0.0 111.646 174.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -68.69 -35.43 77.17 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.298 -0.876 . . . . 0.0 112.475 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 m -77.96 -24.42 48.15 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 78.3 p -101.35 1.31 38.41 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.17 25.27 49.07 Favored Glycine 0 CA--C 1.533 1.165 0 O-C-N 121.726 -0.608 . . . . 0.0 114.156 176.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.52 2.45 88.92 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-O 118.501 -1.166 . . . . 0.0 115.736 175.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -78.28 114.89 17.58 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.79 1.795 . . . . 0.0 111.249 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.23 -39.36 78.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-O 119.134 -0.46 . . . . 0.0 112.033 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -61.68 -41.76 98.0 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.0 mm -75.4 -36.38 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 122.986 0.514 . . . . 0.0 110.188 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.01 -47.46 74.4 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.64 -0.662 . . . . 0.0 111.972 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 pt -66.81 -35.42 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.439 -0.788 . . . . 0.0 111.264 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.87 -45.42 92.54 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.79 1.177 . . . . 0.0 112.794 171.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -64.74 -36.82 85.53 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 121.413 -0.804 . . . . 0.0 112.705 176.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mp -69.34 -39.0 78.43 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.6 mt -72.47 -26.3 61.75 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.364 0.984 . . . . 0.0 112.31 176.526 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.4 m -79.11 11.42 2.8 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.199 1.4 . . . . 0.0 114.48 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -58.28 -23.36 55.98 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -146.12 166.47 26.05 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.85 1.66 . . . . 0.0 111.939 175.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.3 p -131.25 156.57 45.17 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.7 1.6 . . . . 0.0 111.949 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.7 p -80.94 -23.28 38.98 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -178.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 166.63 -175.48 41.97 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 125.142 1.354 . . . . 0.0 113.403 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -74.98 173.86 52.15 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 124.624 1.107 . . . . 0.0 114.346 174.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -145.52 157.75 43.95 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.343 1.457 . . . . 0.0 112.23 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.39 155.83 53.15 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 124.626 1.108 . . . . 0.0 114.314 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.72 -8.1 87.88 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 124.358 0.98 . . . . 0.0 115.316 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 89.0 p -145.6 166.47 25.67 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.847 1.659 . . . . 0.0 112.259 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -76.76 117.59 18.53 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.44 1.096 . . . . 0.0 110.334 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.1 mt -120.98 -5.1 9.57 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -175.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -173.8 170.24 43.36 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.557 1.075 . . . . 0.0 113.67 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.12 -163.16 54.91 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.535 1.064 . . . . 0.0 114.781 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.3 m -65.47 158.03 27.92 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.257 1.423 . . . . 0.0 113.823 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.83 165.36 45.05 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 124.289 0.947 . . . . 0.0 114.25 175.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.59 155.39 53.38 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.314 0.959 . . . . 0.0 114.229 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 63.9 p -80.16 162.75 24.56 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.248 1.419 . . . . 0.0 113.283 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -68.71 151.98 45.95 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.52 1.128 . . . . 0.0 112.3 176.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -70.65 -36.13 73.24 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.282 1.033 . . . . 0.0 112.105 174.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -89.18 147.91 23.92 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.224 1.41 . . . . 0.0 112.725 174.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.9 mp -109.87 145.27 37.08 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.949 1.3 . . . . 0.0 111.328 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.8 p -83.09 158.35 22.47 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.663 1.185 . . . . 0.0 112.716 175.405 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.2 p -149.27 149.53 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.27 1.428 . . . . 0.0 111.058 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.0 ptmt -141.88 161.9 36.8 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.487 1.515 . . . . 0.0 112.861 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.69 164.88 32.16 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.17 1.367 . . . . 0.0 114.335 -177.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.15 -12.95 22.46 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -176.317 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.6 tp -145.08 146.15 31.72 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.09 1.756 . . . . 0.0 110.612 -172.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -124.31 147.66 47.99 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.895 1.278 . . . . 0.0 111.891 -176.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -151.1 150.96 31.31 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.136 1.375 . . . . 0.0 111.644 -178.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -148.81 141.11 24.11 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.583 1.153 . . . . 0.0 112.121 175.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -79.53 -6.15 56.39 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.645 1.178 . . . . 0.0 112.964 175.522 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.8 m -52.58 -34.99 53.09 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.852 1.261 . . . . 0.0 113.68 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -67.24 -42.25 84.3 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.041 0.837 . . . . 0.0 112.207 178.452 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -67.26 -41.25 85.85 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.504 -0.748 . . . . 0.0 111.461 175.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 32.2 mm -61.89 -47.38 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-O 118.719 -0.657 . . . . 0.0 110.646 174.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 58.2 tp -59.35 -48.88 79.97 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.769 1.168 . . . . 0.0 111.914 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -58.31 -53.75 54.77 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.283 0.492 . . . . 0.0 110.895 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -67.14 -35.13 79.05 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 118.264 -0.874 . . . . 0.0 112.604 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.98 -50.98 60.58 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.392 0.997 . . . . 0.0 111.008 176.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -63.12 -41.03 99.25 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.286 0.634 . . . . 0.0 110.824 -178.021 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -68.44 -46.57 69.48 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.094 0.861 . . . . 0.0 112.793 174.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -25.06 65.04 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.609 1.095 . . . . 0.0 113.845 -177.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.8 p -88.72 -36.79 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 173.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.1 p -92.28 -22.03 19.97 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 -174.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.74 129.72 19.3 Favored Glycine 0 CA--C 1.532 1.12 0 CA-C-N 118.944 0.793 . . . . 0.0 113.946 -173.458 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.1 m -63.48 -23.71 67.51 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 -175.323 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 34.8 p -81.64 -23.48 36.94 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.189 1.396 . . . . 0.0 113.354 174.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.95 -31.94 17.03 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.796 1.239 . . . . 0.0 112.468 175.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -68.56 157.84 35.18 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.571 1.148 . . . . 0.0 112.448 171.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 40.4 m -66.03 149.13 50.73 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.39 1.076 . . . . 0.0 112.91 177.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.276 0 C-N-CA 124.569 1.148 . . . . 0.0 113.026 175.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.9 m -75.41 157.14 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 123.952 0.901 . . . . 0.0 112.492 176.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 p -73.74 158.8 33.97 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.403 1.081 . . . . 0.0 112.808 174.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 mp -77.75 133.94 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 123.998 0.919 . . . . 0.0 109.032 176.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.9 mt -132.36 154.26 49.95 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.696 1.598 . . . . 0.0 111.446 -178.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -70.95 -28.32 64.39 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.176 0.99 . . . . 0.0 113.061 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.9 p -145.76 161.63 39.48 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.799 1.64 . . . . 0.0 112.522 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.3 t -149.58 170.57 18.33 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.344 1.457 . . . . 0.0 111.891 177.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.7 p -112.39 2.16 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 125.991 1.716 . . . . 0.0 112.831 176.244 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -59.15 -33.19 70.62 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 120.845 -1.16 . . . . 0.0 113.612 -174.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -64.48 -50.22 68.33 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.46 1.104 . . . . 0.0 111.64 175.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 tpp180 -63.27 -43.02 99.14 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.77 1.228 . . . . 0.0 111.649 176.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -63.11 -43.22 99.05 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.43 0.692 . . . . 0.0 112.075 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.0 t -73.31 -35.59 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 O-C-N 121.506 -0.746 . . . . 0.0 112.226 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.409 ' CG ' HH21 ' A' ' 95' ' ' ARG . 18.8 t70 -64.11 -43.37 95.55 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 121.19 -0.944 . . . . 0.0 111.65 174.575 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.39 -41.45 98.67 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.938 0.895 . . . . 0.0 112.237 169.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.66 88.21 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.618 -0.676 . . . . 0.0 111.879 176.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.8 mt -62.33 -47.42 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.614 172.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -62.65 -36.71 83.71 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 120.468 1.485 . . . . 0.0 113.025 175.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -64.36 -43.4 94.66 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.172 -0.955 . . . . 0.0 111.769 175.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 54.1 mt -63.51 -43.75 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.798 0.839 . . . . 0.0 110.906 173.379 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.1 tp -60.48 -42.54 96.48 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.49 1.116 . . . . 0.0 111.501 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -68.33 -45.04 73.98 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.179 0.991 . . . . 0.0 112.441 173.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -64.2 -40.12 95.41 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.8 p -85.18 -13.22 50.71 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -176.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.6 t30 52.91 52.02 14.73 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.814 1.246 . . . . 0.0 112.443 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -136.81 169.16 18.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.465 1.506 . . . . 0.0 111.987 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.7 p -84.74 161.57 19.96 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.312 0.645 . . . . 0.0 111.989 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -66.03 -31.32 72.15 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.162 -0.961 . . . . 0.0 111.666 174.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -65.23 -44.95 86.56 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 122.99 0.516 . . . . 0.0 111.332 173.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -64.38 -36.93 85.75 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.516 0.598 . . . . 0.0 111.781 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -66.72 -42.03 87.0 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.557 -0.714 . . . . 0.0 111.847 174.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.74 -48.48 81.61 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.902 0.773 . . . . 0.0 111.036 173.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -59.07 -41.47 88.05 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.44 -38.86 92.5 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.382 0.673 . . . . 0.0 112.295 175.037 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 85.3 mmm -69.53 -39.8 77.27 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.899 -1.126 . . . . 0.0 112.657 175.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.64 -44.1 82.85 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.432 1.015 . . . . 0.0 112.008 175.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.2 m -71.92 -19.35 61.93 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 64.2 p -94.52 -2.79 51.02 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 171.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.43 26.13 66.44 Favored Glycine 0 CA--C 1.534 1.257 0 O-C-N 121.761 -0.587 . . . . 0.0 113.762 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.6 59.23 2.39 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.015 0.817 . . . . 0.0 112.976 -175.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.0 mmt-85 -133.54 101.49 5.15 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 118.123 0.961 . . . . 0.0 112.857 171.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.8 p -58.55 -38.27 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.688 0.795 . . . . 0.0 113.077 -175.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -62.08 -43.41 98.89 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 119.557 1.071 . . . . 0.0 113.22 176.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.4 mt -74.17 -35.65 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.421 0.688 . . . . 0.0 110.029 178.323 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.4 -46.12 77.69 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.545 -0.722 . . . . 0.0 111.748 177.221 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.9 pt -66.94 -36.17 76.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 119.435 1.016 . . . . 0.0 111.473 174.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.72 -43.49 90.14 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.163 0.892 . . . . 0.0 112.249 169.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -65.53 -39.06 91.36 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.307 1.043 . . . . 0.0 112.209 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.37 -31.89 70.59 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 174.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.6 mt -79.05 -26.99 43.09 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.051 0.842 . . . . 0.0 112.974 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.9 m -64.55 -5.62 5.87 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -178.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -68.25 -20.57 64.81 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.168 0.894 . . . . 0.0 113.259 169.194 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -79.5 151.66 30.64 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.481 1.112 . . . . 0.0 111.291 172.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.6 p -131.69 153.82 49.61 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.976 1.31 . . . . 0.0 112.764 -176.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 87.0 p -147.96 166.32 28.05 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.851 1.66 . . . . 0.0 112.089 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.34 -146.22 42.11 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 123.918 0.77 . . . . 0.0 113.422 -177.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.51 179.88 40.2 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.641 1.115 . . . . 0.0 113.907 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.0 p -81.04 -8.07 59.69 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -176.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -171.66 -173.45 38.54 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.82 1.2 . . . . 0.0 113.637 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.69 3.21 88.97 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.669 1.128 . . . . 0.0 115.638 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.6 t -151.53 152.63 33.2 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.552 1.541 . . . . 0.0 111.208 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.84 158.55 44.24 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.7 1.6 . . . . 0.0 112.835 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.5 mt 51.33 35.97 15.16 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.51 1.924 . . . . 0.0 114.633 177.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.69 163.07 53.43 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.483 1.039 . . . . 0.0 114.273 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.14 -177.64 45.21 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.896 1.236 . . . . 0.0 115.088 178.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.3 m -72.37 151.22 42.81 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.5 1.12 . . . . 0.0 112.786 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.44 158.32 51.56 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.199 0.904 . . . . 0.0 114.567 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.81 161.59 10.72 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.392 1.473 . . . . 0.0 114.737 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.1 m -73.55 -32.71 64.33 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 121.608 -0.937 . . . . 0.0 113.321 -175.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -87.09 -20.1 27.6 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -178.596 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? 59.5 165.57 0.06 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 127.644 2.377 . . . . 0.0 113.668 -170.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -69.43 143.48 53.58 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.983 0.913 . . . . 0.0 112.244 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.1 tp 48.83 52.68 13.69 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.206 1.802 . . . . 0.0 113.653 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 72.6 p -60.89 -31.04 70.53 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.325 1.05 . . . . 0.0 113.362 177.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.9 m -136.52 160.69 37.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 127.108 2.163 . . . . 0.0 110.759 169.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -148.67 157.24 43.32 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.168 1.387 . . . . 0.0 112.576 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 59.77 18.86 47.59 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 125.3 1.428 . . . . 0.0 116.25 171.002 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . 0.284 23.9 ptp 46.67 35.37 3.0 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.608 1.963 . . . . 0.0 114.866 -169.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.35 144.92 55.15 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.12 0.968 . . . . 0.0 112.323 177.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -95.44 168.46 10.69 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.917 1.287 . . . . 0.0 112.637 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -67.93 154.58 41.28 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.873 1.269 . . . . 0.0 113.19 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.4 m -73.33 146.37 45.29 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -169.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -79.61 62.34 3.87 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.219 1.408 . . . . 0.0 112.643 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.7 m -65.27 -23.06 66.94 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -169.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -63.47 -40.58 97.49 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.259 0.936 . . . . 0.0 113.191 -172.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -67.44 -40.31 85.43 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.794 0.725 . . . . 0.0 111.728 176.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.37 -45.32 93.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.4 0.68 . . . . 0.0 109.371 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.84 -48.71 80.4 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.791 0.836 . . . . 0.0 111.661 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -57.4 -52.39 65.54 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.633 0.651 . . . . 0.0 111.567 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -69.13 -29.76 67.87 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.275 -0.89 . . . . 0.0 113.008 -176.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.5 tp -71.21 -36.17 71.78 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.171 0.896 . . . . 0.0 111.894 173.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -65.84 -38.27 88.44 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 118.757 0.708 . . . . 0.0 111.732 171.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -60.82 -53.34 58.58 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.069 0.85 . . . . 0.0 110.981 172.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . 0.409 HH21 ' CG ' ' A' ' 15' ' ' ASP . 19.2 mtt180 -59.01 -43.72 91.57 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -178.333 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.3 t -95.63 -33.93 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -171.371 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.4 m -113.52 -10.23 13.2 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -173.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -73.61 173.39 49.6 Favored Glycine 0 CA--C 1.536 1.39 0 CA-C-N 119.741 1.155 . . . . 0.0 113.912 172.769 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.5 p -143.7 163.85 32.13 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.206 1.402 . . . . 0.0 113.008 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.0 m 55.55 38.85 30.77 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.719 1.608 . . . . 0.0 113.113 176.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.53 -21.06 66.58 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -172.309 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -70.01 -20.23 63.28 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.458 1.103 . . . . 0.0 113.188 174.001 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.0 t 58.15 -177.69 0.07 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.936 1.694 . . . . 0.0 114.192 -172.238 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.33 0 C-N-CA 125.738 1.615 . . . . 0.0 112.895 -179.71 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.21 158.01 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 C-N-CA 125.158 1.383 . . . . 0.0 111.773 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.8 m -65.46 144.72 56.86 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.159 0.984 . . . . 0.0 112.173 177.655 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -16.28 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 N-CA-C 115.143 1.534 . . . . 0.0 115.143 -173.572 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.7 tp -71.77 -21.22 61.76 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.57 1.148 . . . . 0.0 113.106 174.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -78.74 147.02 33.56 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.343 1.057 . . . . 0.0 111.947 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.0 m -70.67 148.38 48.11 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.167 0.987 . . . . 0.0 112.274 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.8 p -78.14 163.43 25.85 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.0 0.92 . . . . 0.0 113.09 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.56 -25.5 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -60.02 -27.69 67.11 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.439 -0.788 . . . . 0.0 113.008 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -65.96 -53.19 42.24 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.091 -1.006 . . . . 0.0 111.431 176.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -68.59 -35.01 76.78 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 176.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.64 -50.81 71.93 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.225 1.01 . . . . 0.0 112.106 174.53 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.1 t -79.2 -33.26 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 118.954 -0.546 . . . . 0.0 111.392 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.58 -44.93 95.67 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.543 1.065 . . . . 0.0 112.044 169.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.97 -43.03 99.9 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.565 0.746 . . . . 0.0 111.832 174.237 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.73 96.9 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 118.623 0.647 . . . . 0.0 111.89 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 50.8 mt -60.12 -48.58 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.458 174.308 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.35 -38.36 86.68 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.515 1.052 . . . . 0.0 112.905 177.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -61.54 -47.78 84.01 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.381 0.672 . . . . 0.0 111.251 174.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.47 -46.76 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-N 118.74 0.7 . . . . 0.0 110.971 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.5 tp -57.24 -45.66 83.7 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.894 1.278 . . . . 0.0 111.776 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -80.27 -33.23 37.97 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -62.13 -39.89 94.09 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.655 1.116 . . . . 0.0 111.98 170.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.8 m -82.8 -11.97 57.84 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.678 1.191 . . . . 0.0 112.462 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.2 t30 50.62 40.01 22.82 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.867 1.667 . . . . 0.0 113.412 -172.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.4 p -103.74 173.94 6.09 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.257 1.423 . . . . 0.0 112.607 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.0 t -107.05 157.06 18.12 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.39 1.076 . . . . 0.0 110.996 168.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -66.35 -34.0 76.99 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 120.428 -1.42 . . . . 0.0 113.645 -168.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -68.44 -43.77 76.37 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.501 -0.749 . . . . 0.0 111.293 174.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -59.38 -41.25 88.91 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.355 1.062 . . . . 0.0 111.52 172.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -66.15 -41.35 90.51 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.667 -0.646 . . . . 0.0 111.707 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.62 -45.96 92.07 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.313 0.961 . . . . 0.0 111.622 173.39 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -63.96 -37.3 86.9 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.81 92.53 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.492 0.717 . . . . 0.0 112.146 174.511 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 68.6 mmm -63.81 -44.25 93.84 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.485 0.714 . . . . 0.0 111.411 174.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.45 -41.52 97.34 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.868 0.758 . . . . 0.0 111.987 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 t -67.57 -32.24 72.86 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.4 p -102.05 7.06 41.3 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -175.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.8 19.34 75.71 Favored Glycine 0 CA--C 1.537 1.413 0 O-C-N 121.25 -0.906 . . . . 0.0 114.547 176.362 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.11 3.4 82.6 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.806 1.193 . . . . 0.0 115.498 175.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -78.33 106.94 10.59 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.105 1.453 . . . . 0.0 110.53 175.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.48 -42.09 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 123.607 0.763 . . . . 0.0 111.556 -177.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -60.37 -40.09 89.57 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.0 mt -73.71 -38.03 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.285 0.634 . . . . 0.0 110.021 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.75 -52.12 65.52 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.478 -0.764 . . . . 0.0 111.486 177.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 pt -66.9 -36.02 76.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 121.573 -0.704 . . . . 0.0 111.111 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.58 76.94 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.343 0.974 . . . . 0.0 112.967 173.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -67.28 -29.66 69.32 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.652 0.781 . . . . 0.0 112.507 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.7 mp -75.27 -38.32 60.49 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 172.01 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.7 mt -75.86 -35.91 59.76 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.4 p -63.46 -25.44 68.27 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.918 1.236 . . . . 0.0 114.168 -177.138 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -91.36 -4.73 55.45 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.793 1.637 . . . . 0.0 114.161 173.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -121.83 -25.45 5.02 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.876 1.27 . . . . 0.0 114.312 -170.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 t -53.57 -29.51 37.52 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.52 1.928 . . . . 0.0 113.826 173.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 78.9 p -78.8 -6.33 55.69 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.947 1.699 . . . . 0.0 114.575 175.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.5 -6.03 84.04 Favored Glycine 0 CA--C 1.54 1.639 0 C-N-CA 125.28 1.419 . . . . 0.0 113.471 -168.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.24 -158.45 50.77 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.779 1.181 . . . . 0.0 114.269 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 88.1 p -145.77 160.25 42.02 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.615 1.566 . . . . 0.0 112.184 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.91 -160.66 54.01 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.119 0.866 . . . . 0.0 113.741 -176.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.23 156.7 53.44 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.372 0.987 . . . . 0.0 113.83 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.4 p -81.62 -13.8 57.51 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 -178.044 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -64.48 133.67 52.91 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.015 1.326 . . . . 0.0 111.483 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 91.6 mt -94.36 148.35 22.31 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.964 1.306 . . . . 0.0 112.093 -178.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.2 136.87 27.25 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 123.935 0.779 . . . . 0.0 113.138 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 162.19 -174.08 38.58 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.442 1.02 . . . . 0.0 113.953 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.2 p -135.76 -6.86 2.16 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.728 2.011 . . . . 0.0 114.127 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.1 -120.58 5.35 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.518 1.056 . . . . 0.0 113.449 176.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.51 169.27 37.75 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.767 1.175 . . . . 0.0 113.951 -174.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 91.9 p -82.85 -25.16 32.87 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -172.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.8 mtm105 56.56 36.29 27.37 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 126.323 1.849 . . . . 0.0 114.542 173.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -94.21 2.4 55.92 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 125.652 1.581 . . . . 0.0 114.502 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.12 36.21 0.23 Allowed 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 125.923 1.689 . . . . 0.0 115.039 -169.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.59 142.47 57.47 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.763 1.225 . . . . 0.0 111.228 177.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.3 t -86.4 146.38 26.47 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.834 0.854 . . . . 0.0 112.652 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.17 -21.22 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.764 1.226 . . . . 0.0 112.733 170.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -78.11 -6.79 55.78 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.984 1.313 . . . . 0.0 113.993 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.85 126.53 37.15 Favored Glycine 0 CA--C 1.537 1.444 0 CA-C-N 118.987 0.812 . . . . 0.0 112.457 176.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -153.01 170.87 19.36 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.695 1.198 . . . . 0.0 112.794 -172.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 69.3 tp -60.96 133.88 56.54 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.929 0.891 . . . . 0.0 111.432 174.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -133.65 150.34 51.57 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.142 1.377 . . . . 0.0 111.769 174.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -73.71 -41.33 62.74 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -169.652 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.0 m -88.36 119.65 28.99 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.579 0.752 . . . . 0.0 111.393 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -65.0 -37.83 88.96 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -171.641 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 m -63.44 -38.36 90.83 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.145 0.884 . . . . 0.0 112.188 175.679 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -71.36 -39.99 70.92 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.672 -0.643 . . . . 0.0 112.304 175.351 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -58.95 -49.35 78.19 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.624 0.769 . . . . 0.0 111.355 174.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.2 mm -65.69 -45.33 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.204 1.002 . . . . 0.0 110.377 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 60.8 tp -58.63 -47.94 82.67 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.466 1.03 . . . . 0.0 111.871 175.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -59.43 -53.91 52.7 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.717 0.689 . . . . 0.0 110.675 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.5 ttt85 -65.66 -34.69 78.79 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.141 -0.974 . . . . 0.0 112.701 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 32.8 tp -69.32 -38.33 78.18 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.591 1.087 . . . . 0.0 111.807 176.524 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -64.91 -45.34 86.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.743 0.817 . . . . 0.0 111.021 176.385 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -68.73 -42.6 77.39 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 118.939 0.791 . . . . 0.0 111.619 177.205 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 31.0 ttt85 -57.41 -47.97 80.35 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.038 0.935 . . . . 0.0 112.574 177.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.7 t -90.37 -33.93 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -173.484 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.2 m -128.08 5.87 5.93 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -169.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -62.17 -22.67 63.21 Favored Glycine 0 CA--C 1.536 1.365 0 O-C-N 120.495 -1.378 . . . . 0.0 114.343 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.3 p -69.19 -52.64 25.94 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.327 1.051 . . . . 0.0 111.15 169.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.5 m -57.98 -37.61 74.53 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.74 1.616 . . . . 0.0 112.082 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.78 -12.72 56.3 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 176.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -114.89 0.68 13.83 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.023 1.729 . . . . 0.0 113.388 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.6 m -65.65 147.5 53.29 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.184 0.994 . . . . 0.0 112.847 176.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.215 0 C-N-CA 124.925 1.29 . . . . 0.0 112.839 176.521 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.9 p . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.9 m -78.83 156.96 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 124.797 1.239 . . . . 0.0 112.767 177.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.2 m -66.7 146.92 53.94 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.404 1.082 . . . . 0.0 112.793 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.15 -1.02 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -174.383 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.9 tp 52.41 53.0 13.05 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.454 1.502 . . . . 0.0 112.369 -176.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . 0.363 0.0 OUTLIER 50.76 23.63 1.46 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 128.559 2.743 . . . . 0.0 117.947 175.205 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.4 p -69.22 -24.74 64.06 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 176.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.8 p -79.41 160.17 26.77 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.58 1.552 . . . . 0.0 113.321 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.4 t -73.25 131.57 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.929 0.891 . . . . 0.0 110.248 175.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -87.51 120.26 28.63 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.731 0.812 . . . . 0.0 110.615 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -81.72 -3.85 54.77 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -55.78 -31.52 62.68 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.604 1.093 . . . . 0.0 112.27 168.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -61.51 -41.65 97.62 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.353 0.661 . . . . 0.0 111.838 173.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.7 t -71.87 -42.83 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.708 0.803 . . . . 0.0 111.305 176.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.61 -47.18 85.21 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.613 0.765 . . . . 0.0 112.107 174.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -65.58 -40.84 93.2 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.516 0.727 . . . . 0.0 112.209 175.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.67 -41.07 96.34 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.03 0.832 . . . . 0.0 111.907 177.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.3 mt -62.14 -47.59 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.843 0.857 . . . . 0.0 110.73 173.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -62.21 -40.6 96.63 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.412 1.006 . . . . 0.0 112.786 177.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -63.35 -44.33 95.13 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.511 -0.743 . . . . 0.0 111.948 175.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.1 mt -63.14 -46.02 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.063 0.545 . . . . 0.0 111.247 174.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.4 tp -55.56 -45.11 77.34 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.865 1.266 . . . . 0.0 111.743 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -72.03 -44.77 62.85 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.595 0.758 . . . . 0.0 112.902 175.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -59.32 -38.83 81.28 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.033 0.933 . . . . 0.0 112.904 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.7 p -83.49 -4.69 58.75 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.8 t30 54.18 37.17 26.61 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 124.439 1.096 . . . . 0.0 112.646 -176.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 84.9 p -113.09 174.57 5.84 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.313 1.045 . . . . 0.0 113.448 -170.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.1 t -107.95 153.05 23.63 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.983 0.913 . . . . 0.0 110.193 167.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -61.89 -28.05 69.23 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.831 -1.168 . . . . 0.0 113.069 -169.671 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -64.34 -38.39 90.86 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.442 -0.786 . . . . 0.0 112.347 173.204 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -67.49 -42.45 82.91 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.777 -0.577 . . . . 0.0 110.877 175.411 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -65.07 -41.88 94.67 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.802 0.441 . . . . 0.0 111.432 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.53 -47.87 81.99 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.456 -0.777 . . . . 0.0 111.973 173.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -61.64 -41.53 97.63 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 122.88 0.472 . . . . 0.0 111.981 179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.58 -47.17 79.69 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.905 0.482 . . . . 0.0 112.028 174.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 68.5 mmm -63.61 -34.09 77.06 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.05 0.841 . . . . 0.0 112.708 177.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -66.55 -40.9 89.27 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.152 -0.968 . . . . 0.0 111.472 170.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.4 t -69.02 -29.59 67.8 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.9 p -96.49 -2.79 44.51 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.71 30.8 65.73 Favored Glycine 0 CA--C 1.539 1.538 0 O-C-N 121.417 -0.802 . . . . 0.0 113.737 -177.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.61 10.91 80.84 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.42 1.01 . . . . 0.0 114.821 -178.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -77.11 90.23 3.64 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 118.972 1.386 . . . . 0.0 109.914 176.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.0 p -56.88 -37.55 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.636 0.774 . . . . 0.0 112.892 -175.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.6 ptt-85 -61.06 -41.45 96.64 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 175.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.3 mt -73.58 -37.06 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.164 0.586 . . . . 0.0 109.804 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.6 -46.27 79.99 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.337 -0.852 . . . . 0.0 111.632 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 pt -68.59 -36.08 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.619 -0.676 . . . . 0.0 111.411 175.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.01 -45.62 90.22 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.843 0.747 . . . . 0.0 112.424 171.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -64.31 -44.72 90.73 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 121.457 -0.777 . . . . 0.0 112.215 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.2 -37.15 81.94 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.402 0.681 . . . . 0.0 112.545 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.0 mt -73.48 -47.88 37.77 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.607 0.64 . . . . 0.0 112.209 175.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 72.2 m -66.36 -21.57 66.24 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -179.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -65.89 -23.74 66.7 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.495 1.118 . . . . 0.0 113.088 171.759 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -101.65 160.31 14.56 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.763 1.625 . . . . 0.0 112.452 -177.083 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.0 p -85.13 -21.36 29.29 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.9 m 53.89 32.04 14.42 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.809 1.643 . . . . 0.0 114.235 -177.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.53 158.23 53.36 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 124.409 1.004 . . . . 0.0 114.19 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.48 172.91 53.54 Favored Glycine 0 CA--C 1.541 1.685 0 C-N-CA 124.511 1.053 . . . . 0.0 114.451 177.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.7 m -131.99 148.75 52.53 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.53 1.532 . . . . 0.0 111.997 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.03 142.79 46.73 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.875 0.75 . . . . 0.0 113.122 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.32 3.71 71.54 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 124.458 1.028 . . . . 0.0 115.634 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.0 t -74.81 153.73 38.61 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.741 1.27 . . . . 0.0 112.46 177.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -71.14 115.14 9.93 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.688 1.195 . . . . 0.0 109.994 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.7 mt -133.6 144.87 49.54 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 126.014 1.726 . . . . 0.0 110.774 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.33 -160.74 42.92 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 123.962 0.792 . . . . 0.0 113.954 -176.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.67 12.3 77.86 Favored Glycine 0 CA--C 1.54 1.644 0 N-CA-C 116.135 1.214 . . . . 0.0 116.135 172.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.7 m 60.84 168.97 0.09 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.879 2.072 . . . . 0.0 115.144 -175.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 166.91 169.51 30.6 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.639 1.114 . . . . 0.0 114.017 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 71.18 -173.11 43.26 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 124.746 1.165 . . . . 0.0 114.874 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.0 m -74.39 153.55 39.19 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.65 1.18 . . . . 0.0 112.904 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 52.1 tpt85 -70.5 -24.4 62.83 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -178.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -130.32 155.66 45.97 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.53 1.932 . . . . 0.0 111.294 177.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -72.41 141.54 48.68 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.044 0.938 . . . . 0.0 112.091 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.2 mt -136.52 151.47 49.46 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.613 1.565 . . . . 0.0 111.967 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.7 m -69.02 151.25 46.72 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.585 1.154 . . . . 0.0 113.339 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.3 m -134.43 163.12 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 125.844 1.658 . . . . 0.0 112.034 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -140.65 161.25 38.2 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.486 1.514 . . . . 0.0 113.064 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.88 170.66 51.4 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.697 1.142 . . . . 0.0 114.165 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -9.72 59.64 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -176.223 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -140.14 153.44 46.67 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.634 1.574 . . . . 0.0 112.328 175.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -75.38 -35.59 61.06 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -173.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -144.88 145.56 31.65 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.634 1.174 . . . . 0.0 112.353 -175.609 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.0 t -146.45 157.8 43.81 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.689 1.595 . . . . 0.0 111.088 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -136.58 126.33 25.59 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.585 1.154 . . . . 0.0 112.566 -171.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.6 p -55.79 -51.36 67.72 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.545 1.538 . . . . 0.0 113.594 -172.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . 0.259 2.8 pp0? -72.34 -29.65 64.01 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 118.769 -0.634 . . . . 0.0 112.648 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -66.14 -48.82 69.55 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.857 1.208 . . . . 0.0 111.808 173.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 31.8 mm -61.08 -47.57 92.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 118.371 0.532 . . . . 0.0 110.17 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.29 -43.99 95.77 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.772 0.714 . . . . 0.0 112.364 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -63.05 -49.64 73.77 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.242 0.928 . . . . 0.0 111.359 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -65.46 -35.38 80.74 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.558 1.072 . . . . 0.0 112.529 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.4 tp -66.18 -39.52 89.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.326 0.65 . . . . 0.0 111.96 174.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.6 ttt85 -68.93 -42.4 76.82 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.155 0.582 . . . . 0.0 111.556 176.42 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -61.26 -49.77 75.72 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.602 0.637 . . . . 0.0 111.907 176.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -68.4 -36.66 79.43 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 69.0 t -76.59 -51.87 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 118.812 0.733 . . . . 0.0 111.869 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 61.1 m -69.33 -37.94 77.95 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.034 0.834 . . . . 0.0 112.149 -178.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -65.18 -15.75 61.32 Favored Glycine 0 CA--C 1.538 1.471 0 O-C-N 121.201 -0.937 . . . . 0.0 114.706 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 69.8 m -85.08 -1.06 56.41 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.453 1.101 . . . . 0.0 113.899 173.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.4 t -138.07 -33.91 0.68 Allowed 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.32 131.03 46.09 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.08 -1.012 . . . . 0.0 111.739 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -80.19 -16.12 55.52 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -172.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 24.2 m -87.39 -4.51 59.03 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.818 1.247 . . . . 0.0 114.136 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.362 0 C-N-CA 125.36 1.464 . . . . 0.0 112.879 -179.332 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.9 m . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.8 m -75.57 157.29 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 123.951 0.9 . . . . 0.0 112.49 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -146.54 162.65 37.89 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.255 1.422 . . . . 0.0 111.736 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.9 mp -76.4 136.27 25.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 124.904 1.282 . . . . 0.0 109.904 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.88 158.78 43.29 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.733 1.613 . . . . 0.0 112.277 176.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -76.97 134.73 38.79 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.174 0.99 . . . . 0.0 112.301 -174.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.3 m 62.27 162.97 0.09 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 127.215 2.206 . . . . 0.0 115.499 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.8 p -151.04 164.83 35.53 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.571 1.548 . . . . 0.0 111.941 -179.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.0 m -131.93 150.27 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.068 1.347 . . . . 0.0 112.137 176.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -83.05 157.67 22.78 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.611 1.165 . . . . 0.0 111.625 175.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.6 p80 -59.31 -28.19 66.56 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.791 -1.193 . . . . 0.0 113.314 177.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -61.45 -35.8 78.6 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.062 0.945 . . . . 0.0 113.049 171.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -74.19 -35.72 63.97 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.179 0.592 . . . . 0.0 111.184 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.4 t -66.08 -42.02 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.234 0.614 . . . . 0.0 110.567 171.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.31 -43.66 94.02 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.639 0.776 . . . . 0.0 112.345 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.78 -41.16 97.36 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.996 0.918 . . . . 0.0 112.201 173.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.54 -43.36 97.32 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.62 0.645 . . . . 0.0 111.361 175.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.4 mt -59.19 -44.72 92.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.619 0.767 . . . . 0.0 111.215 173.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -63.98 -39.07 93.3 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.599 0.76 . . . . 0.0 112.193 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.83 -41.63 95.6 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.695 0.798 . . . . 0.0 112.237 174.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.71 -44.47 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.071 0.851 . . . . 0.0 110.666 173.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.7 tp -56.93 -43.71 81.75 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.131 0.972 . . . . 0.0 111.818 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 -70.56 -46.89 62.67 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.586 0.755 . . . . 0.0 112.555 174.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -61.03 -39.55 90.19 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.007 0.923 . . . . 0.0 112.981 -177.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.2 p -81.48 -4.15 55.07 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 176.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.3 t30 52.81 55.32 9.16 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.506 1.522 . . . . 0.0 111.928 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.7 m -124.82 165.4 18.08 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.993 0.917 . . . . 0.0 112.985 -171.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.2 p -89.5 159.32 17.3 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.517 0.727 . . . . 0.0 111.288 169.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.61 -30.79 71.56 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.717 -1.239 . . . . 0.0 112.33 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -68.1 -40.02 82.71 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.351 0.66 . . . . 0.0 111.529 172.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -63.11 -39.53 94.95 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.619 0.645 . . . . 0.0 111.723 172.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.45 -40.76 80.96 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.4 -0.812 . . . . 0.0 111.612 177.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.5 -47.45 85.46 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.462 -0.774 . . . . 0.0 111.745 171.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.66 -40.2 96.23 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 178.198 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.3 -42.33 88.48 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.452 0.701 . . . . 0.0 111.96 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.6 mmm -66.5 -39.95 88.96 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.238 -0.914 . . . . 0.0 111.927 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.72 -38.86 90.32 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.202 0.601 . . . . 0.0 111.784 175.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 m -73.87 -23.47 59.6 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.799 1.036 . . . . 0.0 113.799 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.7 p -106.2 1.83 26.41 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -176.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.55 27.12 71.76 Favored Glycine 0 CA--C 1.534 1.242 0 O-C-N 121.577 -0.702 . . . . 0.0 113.158 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.57 9.22 86.69 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 115.874 1.109 . . . . 0.0 115.874 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.8 mtt85 -74.7 99.7 3.77 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.031 1.915 . . . . 0.0 110.37 174.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.61 -34.34 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 CA-C-O 118.747 -0.644 . . . . 0.0 112.441 -176.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -62.22 -43.55 98.58 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 119.52 1.055 . . . . 0.0 113.699 175.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.6 mt -75.32 -35.02 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.009 0.524 . . . . 0.0 109.773 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.91 -46.97 82.45 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.303 -0.873 . . . . 0.0 111.476 175.674 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.0 pt -67.99 -35.51 72.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 119.871 1.214 . . . . 0.0 111.797 175.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.24 -44.45 88.31 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.586 1.085 . . . . 0.0 112.514 170.229 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -64.97 -44.25 89.98 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.494 1.117 . . . . 0.0 111.711 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 64.0 mt -66.85 -32.7 74.14 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.9 0.88 . . . . 0.0 112.904 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.9 mt -73.08 -38.08 66.54 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.348 0.976 . . . . 0.0 111.919 173.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.5 m -79.95 -32.97 39.96 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.0 mttm 49.51 30.22 3.34 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 127.372 2.269 . . . . 0.0 114.237 -177.001 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.6 162.01 13.5 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -168.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.8 p -115.79 160.32 20.28 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.078 1.751 . . . . 0.0 112.172 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.8 p -137.88 161.65 36.07 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.073 1.349 . . . . 0.0 112.878 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.91 1.41 87.34 Favored Glycine 0 CA--C 1.539 1.561 0 N-CA-C 115.965 1.146 . . . . 0.0 115.965 177.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.6 -15.45 81.34 Favored Glycine 0 CA--C 1.538 1.506 0 CA-C-N 118.72 1.26 . . . . 0.0 115.213 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.4 m -137.43 154.3 49.97 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.929 1.692 . . . . 0.0 112.113 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.71 -172.42 35.69 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.594 1.092 . . . . 0.0 113.955 172.288 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.06 23.67 73.79 Favored Glycine 0 CA--C 1.538 1.476 0 N-CA-C 114.969 0.748 . . . . 0.0 114.969 177.359 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.2 p -68.0 158.84 31.95 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.906 1.282 . . . . 0.0 113.418 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -129.83 141.18 50.87 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.987 1.715 . . . . 0.0 111.213 -176.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.2 mt -117.53 159.74 22.37 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.514 1.526 . . . . 0.0 112.342 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.34 45.57 2.36 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 125.842 1.687 . . . . 0.0 114.523 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.3 -138.05 33.85 Favored Glycine 0 CA--C 1.537 1.416 0 CA-C-N 117.927 0.863 . . . . 0.0 112.457 -174.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.7 t -140.4 -172.54 3.45 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.054 1.342 . . . . 0.0 111.048 177.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.34 136.78 21.79 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.022 0.82 . . . . 0.0 111.833 169.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.22 11.19 82.01 Favored Glycine 0 CA--C 1.541 1.675 0 N-CA-C 115.544 0.978 . . . . 0.0 115.544 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 88.4 p -127.66 162.82 25.63 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.621 1.569 . . . . 0.0 112.181 176.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -75.5 140.14 42.63 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.35 1.06 . . . . 0.0 112.506 -175.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.89 162.09 38.53 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.046 1.739 . . . . 0.0 111.907 169.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -76.61 104.14 6.96 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.914 0.885 . . . . 0.0 112.123 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.4 pp -152.16 174.91 13.16 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.293 1.837 . . . . 0.0 112.0 174.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.2 t -118.39 128.75 54.92 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.681 1.192 . . . . 0.0 110.61 170.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.8 m -84.02 149.15 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.762 0.825 . . . . 0.0 113.116 -174.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 94.6 mttt 54.94 13.23 0.71 Allowed 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 127.025 2.13 . . . . 0.0 115.983 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -87.26 171.56 42.33 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.992 1.282 . . . . 0.0 114.162 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.73 37.08 0.34 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.229 1.812 . . . . 0.0 114.283 -177.806 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.85 -26.59 40.34 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.671 1.188 . . . . 0.0 113.721 -170.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -125.01 6.9 7.95 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -168.634 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -96.65 140.27 31.5 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.399 1.079 . . . . 0.0 112.568 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.3 p -160.33 173.65 15.34 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.176 1.39 . . . . 0.0 111.777 170.003 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -75.41 37.73 0.14 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.434 1.494 . . . . 0.0 112.875 173.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.5 p -50.39 -53.65 27.65 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 126.886 2.074 . . . . 0.0 114.475 -168.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -71.07 -41.78 70.24 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -171.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -68.6 -42.21 78.49 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.896 0.771 . . . . 0.0 111.766 178.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.1 mm -67.21 -44.31 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.302 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.22 -43.7 98.45 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.112 1.324 . . . . 0.0 111.419 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -58.21 -55.92 28.7 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.426 0.557 . . . . 0.0 110.976 176.578 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -66.82 -36.21 81.83 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.21 0.913 . . . . 0.0 112.221 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.4 -49.08 68.0 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.394 0.997 . . . . 0.0 111.625 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -65.19 -37.18 86.51 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.974 0.51 . . . . 0.0 111.381 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -66.49 -45.11 80.71 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.153 0.433 . . . . 0.0 112.125 172.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -59.91 -42.35 93.7 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.249 1.02 . . . . 0.0 112.603 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.6 t -90.04 -37.33 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -175.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.0 m -130.31 4.12 4.74 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -168.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -61.9 -22.02 61.82 Favored Glycine 0 CA--C 1.539 1.564 0 O-C-N 120.225 -1.547 . . . . 0.0 114.858 -176.713 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 62.6 p -83.43 -14.65 52.13 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.698 1.599 . . . . 0.0 114.373 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 64.4 p -122.16 -25.61 4.86 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.811 1.244 . . . . 0.0 113.929 -174.401 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.49 -17.34 64.48 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.713 1.205 . . . . 0.0 113.958 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -71.38 -24.57 62.1 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.295 1.038 . . . . 0.0 113.011 174.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.0 m -75.47 150.07 38.33 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.475 1.11 . . . . 0.0 112.976 -177.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.259 0 C-N-CA 126.142 1.777 . . . . 0.0 112.393 178.448 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.4 m -131.79 160.76 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 125.691 1.596 . . . . 0.0 111.875 178.038 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 t -141.7 164.97 28.77 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.918 1.287 . . . . 0.0 112.092 176.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -99.62 -9.05 9.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.874 1.67 . . . . 0.0 113.721 178.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -148.57 152.69 37.23 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.066 1.346 . . . . 0.0 112.77 176.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 54.39 23.26 4.31 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 126.184 1.794 . . . . 0.0 114.994 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 m -63.74 -22.43 66.9 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.315 1.446 . . . . 0.0 114.13 -173.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.4 p -80.32 -10.46 59.75 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.72 1.608 . . . . 0.0 114.208 174.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 t 52.6 48.67 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.853 1.661 . . . . 0.0 111.45 -174.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 -63.8 123.72 19.64 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.758 1.223 . . . . 0.0 111.799 -176.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 55.5 p-80 -68.77 -16.62 63.85 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -58.4 -30.95 67.25 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.045 0.839 . . . . 0.0 112.538 176.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -63.2 -41.95 99.24 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 118.422 0.555 . . . . 0.0 111.469 176.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.4 t -70.09 -43.58 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.128 0.971 . . . . 0.0 110.936 176.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.92 -46.27 91.32 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.709 0.804 . . . . 0.0 112.343 175.4 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.93 -41.91 97.5 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.309 1.044 . . . . 0.0 111.672 176.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.33 99.08 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.663 0.665 . . . . 0.0 111.845 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.1 mt -59.47 -48.8 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.303 0.641 . . . . 0.0 110.915 174.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.19 -39.59 94.32 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.136 0.88 . . . . 0.0 112.844 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -63.44 -43.14 98.25 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.507 -0.746 . . . . 0.0 111.753 175.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.7 mt -63.14 -47.09 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.465 0.706 . . . . 0.0 110.829 173.73 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.7 tp -59.78 -39.96 86.66 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.347 1.059 . . . . 0.0 111.799 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -71.03 -47.4 58.8 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.282 1.033 . . . . 0.0 112.544 173.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.76 -41.07 94.74 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.127 0.971 . . . . 0.0 112.972 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.5 p -81.61 -8.91 59.77 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.993 1.108 . . . . 0.0 113.993 176.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.279 0.8 OUTLIER 48.64 32.24 3.41 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.18 1.792 . . . . 0.0 113.918 -171.759 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 87.2 p -96.31 -178.34 4.27 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.926 1.29 . . . . 0.0 112.96 -174.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.3 p -103.26 151.09 23.08 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.794 0.838 . . . . 0.0 109.632 168.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -62.5 -31.39 72.14 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.234 -0.916 . . . . 0.0 112.381 -177.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -67.84 -36.07 79.7 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.304 -0.873 . . . . 0.0 113.079 172.513 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -69.58 -38.92 77.55 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.076 0.853 . . . . 0.0 111.538 172.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -63.2 -43.03 99.29 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.824 -0.548 . . . . 0.0 111.243 173.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.02 -45.22 93.35 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.118 -0.989 . . . . 0.0 111.843 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.14 -40.56 96.35 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.153 0.581 . . . . 0.0 112.352 177.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.78 -43.29 84.33 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.73 -0.606 . . . . 0.0 111.878 174.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.4 mmm -62.14 -37.58 85.73 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.027 0.83 . . . . 0.0 112.305 174.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -65.0 -39.79 93.97 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.008 -1.058 . . . . 0.0 111.653 171.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.5 t -64.4 -31.73 73.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.14 0.976 . . . . 0.0 113.565 175.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.7 p -99.83 -0.34 39.95 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -177.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.37 29.41 66.19 Favored Glycine 0 CA--C 1.537 1.463 0 O-C-N 121.457 -0.777 . . . . 0.0 113.537 -176.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.1 10.96 70.64 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.814 1.197 . . . . 0.0 115.163 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.8 mmt-85 -81.29 99.39 8.61 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 119.271 1.536 . . . . 0.0 110.54 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.5 t -54.34 -45.06 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.535 1.134 . . . . 0.0 111.786 -178.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.1 ptm85 -60.06 -40.54 89.84 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.6 mt -75.71 -36.02 32.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 122.93 0.492 . . . . 0.0 109.933 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.73 -46.7 77.91 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.264 -0.898 . . . . 0.0 111.56 178.135 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.7 pt -67.48 -35.41 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 118.538 -0.744 . . . . 0.0 111.143 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.47 -45.36 91.85 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.354 0.979 . . . . 0.0 112.982 171.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -68.15 -31.71 71.48 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.2 -44.38 75.96 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.412 0.685 . . . . 0.0 111.883 170.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.3 mt -68.06 -34.18 75.97 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.7 p -84.17 -6.25 59.37 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 171.061 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . 0.279 22.1 ptmt 42.3 33.92 0.46 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.547 1.939 . . . . 0.0 114.412 -169.527 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 54.97 40.17 31.9 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.901 2.081 . . . . 0.0 114.272 -173.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.0 p -111.42 -7.5 14.36 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.1 p -147.43 155.33 41.83 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.056 1.342 . . . . 0.0 112.396 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 154.15 -174.37 32.61 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.995 1.284 . . . . 0.0 113.448 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.05 18.34 80.18 Favored Glycine 0 CA--C 1.538 1.524 0 N-CA-C 115.647 1.019 . . . . 0.0 115.647 174.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.6 m -67.42 -24.75 65.68 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -174.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.28 -171.47 43.15 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 124.899 1.238 . . . . 0.0 114.619 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 174.54 169.2 36.29 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.828 1.204 . . . . 0.0 113.673 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 67.1 p -84.4 -20.91 31.11 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.748 1.219 . . . . 0.0 114.127 -178.594 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -70.58 137.89 50.41 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.917 1.287 . . . . 0.0 111.805 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 98.2 mt -139.66 154.98 47.64 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.505 1.522 . . . . 0.0 110.703 169.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.59 157.85 52.87 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 124.199 0.904 . . . . 0.0 113.848 175.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -77.8 154.39 41.53 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.65 1.119 . . . . 0.0 114.169 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 82.2 p -138.13 4.89 2.51 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -170.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.54 166.02 38.69 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.08 0.848 . . . . 0.0 114.08 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.45 -8.25 44.44 Favored Glycine 0 CA--C 1.539 1.586 0 N-CA-C 116.404 1.322 . . . . 0.0 116.404 -170.049 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.7 p -71.06 -12.71 61.67 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.966 1.307 . . . . 0.0 113.811 171.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -127.55 147.94 50.34 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.711 2.004 . . . . 0.0 111.105 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -84.41 39.03 0.7 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.17 1.388 . . . . 0.0 112.858 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -152.74 139.82 19.27 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.653 1.581 . . . . 0.0 111.097 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.4 mt -142.78 148.88 37.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.691 1.596 . . . . 0.0 110.622 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 62.8 p -59.94 -29.8 68.64 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.273 1.029 . . . . 0.0 113.759 177.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.7 m -89.65 0.54 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 125.566 1.546 . . . . 0.0 114.149 175.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp 49.72 30.75 3.89 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.893 2.077 . . . . 0.0 115.532 174.068 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 59.75 25.43 61.32 Favored Glycine 0 CA--C 1.542 1.73 0 O-C-N 121.026 -1.046 . . . . 0.0 114.177 -174.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 21.1 ttp 60.35 21.12 10.67 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.667 1.987 . . . . 0.0 114.614 -171.342 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.3 tp -104.7 124.42 49.35 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.331 1.453 . . . . 0.0 110.638 174.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -134.38 149.94 50.85 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.843 1.257 . . . . 0.0 111.755 -177.252 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -143.58 54.99 1.33 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.784 1.234 . . . . 0.0 111.534 -174.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.0 t -144.33 150.82 38.43 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.997 1.319 . . . . 0.0 112.208 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -99.54 10.99 40.37 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.533 1.533 . . . . 0.0 112.876 177.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.4 p -45.76 -47.03 15.54 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.513 1.925 . . . . 0.0 114.377 -171.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -70.16 -36.98 75.09 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.342 0.657 . . . . 0.0 112.566 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -77.27 -34.75 55.62 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.464 -0.773 . . . . 0.0 111.943 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.6 mm -59.39 -48.19 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.747 0.819 . . . . 0.0 109.47 169.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.4 tp -60.98 -45.27 95.46 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.579 0.627 . . . . 0.0 112.05 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -58.55 -50.42 73.84 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.032 0.833 . . . . 0.0 112.101 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 51.0 ttm-85 -71.87 -32.07 67.1 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 121.299 -0.876 . . . . 0.0 112.868 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.5 tp -66.66 -38.93 87.87 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.508 0.594 . . . . 0.0 111.534 171.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.0 ttp85 -68.45 -39.3 81.54 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.267 1.027 . . . . 0.0 111.371 176.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -61.06 -50.79 71.88 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.277 0.944 . . . . 0.0 111.142 171.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -63.1 -37.29 86.61 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 70.0 t -88.4 -44.83 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.608 0.763 . . . . 0.0 112.895 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.0 m -107.8 -11.9 15.3 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -169.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.86 149.02 48.91 Favored Glycine 0 CA--C 1.536 1.404 0 CA-C-N 119.6 1.091 . . . . 0.0 113.57 176.828 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 77.6 p -83.9 156.99 22.12 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.769 1.228 . . . . 0.0 112.938 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.9 p -99.24 -7.02 27.04 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.136 1.375 . . . . 0.0 114.44 -177.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.74 153.14 41.28 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.361 1.064 . . . . 0.0 113.342 -178.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -150.64 169.27 21.98 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.456 1.502 . . . . 0.0 112.505 177.181 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.6 m 56.68 32.0 20.31 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 168.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.372 0 C-N-CA 126.384 1.874 . . . . 0.0 111.944 -179.369 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.9 m . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.5 m -132.34 156.8 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 125.662 1.585 . . . . 0.0 111.888 177.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 t -70.94 148.27 47.88 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.481 0.712 . . . . 0.0 111.963 174.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 pp -141.0 161.22 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 126.722 2.009 . . . . 0.0 112.243 -173.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.5 mt -77.75 153.37 33.0 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.133 0.973 . . . . 0.0 112.069 176.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -79.87 155.75 27.65 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.614 1.166 . . . . 0.0 112.249 177.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.1 t -146.11 162.14 38.6 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.372 1.469 . . . . 0.0 111.676 176.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.2 m -66.0 123.58 20.22 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.626 1.17 . . . . 0.0 111.747 -177.306 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.55 -37.46 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.359 0.664 . . . . 0.0 111.687 -172.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -53.95 -46.1 71.48 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.172 0.989 . . . . 0.0 112.008 174.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -78.32 -41.89 32.31 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.42 1.088 . . . . 0.0 111.202 -177.54 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -62.45 -34.88 77.67 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 118.533 -0.746 . . . . 0.0 112.572 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.65 -42.27 98.66 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.855 1.207 . . . . 0.0 111.957 177.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.2 t -71.53 -41.17 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 O-C-N 121.579 -0.7 . . . . 0.0 111.251 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.46 -43.37 98.98 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.165 0.986 . . . . 0.0 112.765 174.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -65.97 -40.19 91.04 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.244 1.018 . . . . 0.0 112.078 173.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.65 -38.7 91.9 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.798 -0.564 . . . . 0.0 111.452 176.388 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.0 mt -59.06 -49.06 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.71 0.804 . . . . 0.0 110.852 170.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.64 -39.42 93.78 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.502 1.046 . . . . 0.0 112.699 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -64.52 -44.92 89.35 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.697 0.799 . . . . 0.0 112.259 175.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.4 mt -60.63 -48.34 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 123.014 0.525 . . . . 0.0 110.125 173.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.83 -37.0 82.81 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.239 1.015 . . . . 0.0 112.533 -177.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -66.0 -43.15 88.57 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.809 0.844 . . . . 0.0 111.961 170.41 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -68.37 -39.94 81.6 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.6 p -74.8 -18.78 60.41 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.013 -1.054 . . . . 0.0 113.622 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 53.18 26.79 5.31 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.962 1.305 . . . . 0.0 113.922 -172.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.6 p -98.68 178.76 4.89 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.934 1.293 . . . . 0.0 111.947 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.1 p -87.65 160.99 17.93 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.505 -0.747 . . . . 0.0 110.482 168.058 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -65.88 -34.32 77.85 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.052 -1.03 . . . . 0.0 111.902 176.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -68.51 -35.87 78.09 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.36 -0.837 . . . . 0.0 112.747 172.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -64.93 -39.17 93.1 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.132 0.878 . . . . 0.0 111.46 170.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -66.28 -43.44 86.4 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.714 -0.616 . . . . 0.0 111.689 175.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.37 -45.05 96.02 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.852 0.751 . . . . 0.0 111.562 174.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -61.24 -41.5 97.0 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.331 0.653 . . . . 0.0 112.245 175.059 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.51 96.76 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.213 0.605 . . . . 0.0 112.116 176.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 60.1 mtp -64.4 -42.6 96.0 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.627 1.103 . . . . 0.0 111.924 173.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -64.5 -41.19 96.58 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.187 0.903 . . . . 0.0 112.701 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.4 m -75.79 -23.46 55.88 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.1 p -96.61 2.64 52.45 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.92 19.99 56.57 Favored Glycine 0 N--CA 1.476 1.321 0 O-C-N 121.5 -0.75 . . . . 0.0 114.235 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.62 -1.38 78.68 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.639 1.114 . . . . 0.0 115.622 175.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -76.36 115.29 15.96 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.577 1.689 . . . . 0.0 111.434 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.49 -37.72 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 O-C-N 121.778 -0.576 . . . . 0.0 111.909 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -62.09 -42.96 99.74 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.7 mm -75.2 -35.44 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 122.857 0.463 . . . . 0.0 109.972 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.32 -48.91 73.8 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.705 -0.622 . . . . 0.0 111.891 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.9 pt -67.03 -37.22 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.43 -0.794 . . . . 0.0 111.197 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.2 -46.25 86.16 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.303 0.956 . . . . 0.0 112.355 172.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -65.83 -38.29 88.51 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 121.187 -0.945 . . . . 0.0 112.81 177.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.4 mt -68.83 -34.56 75.7 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 176.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.2 mt -82.18 -38.8 24.09 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.1 p -110.17 -20.32 12.72 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.962 1.838 . . . . 0.0 115.962 -171.663 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . 0.268 22.1 ptmt 42.13 34.65 0.49 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 126.674 1.989 . . . . 0.0 114.912 -171.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -70.49 148.35 48.36 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.292 1.037 . . . . 0.0 113.298 -175.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.8 t -76.06 -23.63 55.07 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -175.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.4 m -62.84 149.28 44.7 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.133 1.373 . . . . 0.0 113.89 -175.145 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -92.4 155.96 23.08 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.808 1.194 . . . . 0.0 114.195 177.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.13 160.7 44.65 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.165 0.888 . . . . 0.0 113.752 173.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.0 m 50.75 40.66 24.93 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.03 1.732 . . . . 0.0 114.938 175.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.8 -11.84 83.22 Favored Glycine 0 CA--C 1.54 1.615 0 N-CA-C 116.1 1.2 . . . . 0.0 116.1 -174.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.85 156.3 53.2 Favored Glycine 0 CA--C 1.539 1.588 0 CA-C-N 118.8 1.3 . . . . 0.0 114.507 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.5 t -150.41 160.41 43.77 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.254 1.422 . . . . 0.0 111.992 177.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -71.08 139.34 50.34 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.926 1.29 . . . . 0.0 111.866 -178.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.2 mt -130.55 159.78 36.12 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.1 1.76 . . . . 0.0 111.458 177.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.09 151.63 49.07 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 123.977 0.799 . . . . 0.0 113.586 175.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 168.94 -176.96 42.96 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.556 1.074 . . . . 0.0 113.781 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.2 m -67.76 150.7 48.32 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.57 1.148 . . . . 0.0 112.812 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.06 156.62 53.58 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 124.002 0.81 . . . . 0.0 113.83 176.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.05 26.1 0.49 Allowed Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.379 0.99 . . . . 0.0 114.928 -176.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.1 m -66.24 149.5 50.25 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.768 1.227 . . . . 0.0 113.115 -175.533 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -130.11 157.41 42.48 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.9 1.68 . . . . 0.0 111.721 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -83.49 -14.86 51.45 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -81.46 65.72 6.71 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.023 1.329 . . . . 0.0 112.421 -176.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.0 mt -101.34 3.55 40.73 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.475 1.51 . . . . 0.0 114.06 -173.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 82.4 p -70.31 147.39 49.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.314 1.045 . . . . 0.0 113.297 -178.439 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.2 t -78.99 133.46 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.093 0.957 . . . . 0.0 110.062 174.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -125.9 154.03 43.34 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.604 1.562 . . . . 0.0 111.893 -174.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.84 -152.02 51.82 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.111 0.862 . . . . 0.0 113.566 -176.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 65.1 mtt -130.84 149.23 52.57 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.441 1.496 . . . . 0.0 111.56 176.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.3 tp -75.79 138.85 41.46 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.109 0.964 . . . . 0.0 111.869 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -146.01 162.19 38.42 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.357 1.463 . . . . 0.0 111.419 173.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -69.27 155.5 40.31 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.972 0.909 . . . . 0.0 113.419 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.4 t -80.36 143.15 33.77 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.018 1.327 . . . . 0.0 112.049 177.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -58.04 -33.11 68.64 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.709 0.804 . . . . 0.0 111.966 172.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.9 m -58.5 -42.9 88.69 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.26 0.624 . . . . 0.0 112.409 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -71.2 -37.18 72.11 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.562 0.619 . . . . 0.0 112.277 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -66.35 -47.59 72.95 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 118.636 0.653 . . . . 0.0 111.865 175.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.5 mm -60.02 -45.65 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.716 0.806 . . . . 0.0 110.296 174.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.24 -46.41 89.89 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.529 1.058 . . . . 0.0 112.182 176.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.89 -52.59 64.76 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.875 0.761 . . . . 0.0 111.216 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -67.55 -34.6 77.41 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 118.715 -0.659 . . . . 0.0 112.685 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.9 tp -68.9 -42.52 76.77 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.657 1.117 . . . . 0.0 111.413 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -65.65 -43.01 90.75 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.903 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -65.76 -45.0 84.18 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 176.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 57.8 mtp85 -57.03 -42.74 81.02 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.657 0.783 . . . . 0.0 112.491 174.467 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.4 t -82.28 -36.73 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.749 0.82 . . . . 0.0 112.279 -175.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.7 p -73.18 -42.13 63.08 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.24 0.927 . . . . 0.0 111.906 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.62 -177.29 13.39 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 124.928 1.251 . . . . 0.0 115.286 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.7 m -67.49 -25.34 65.82 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.506 -0.997 . . . . 0.0 113.581 -177.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 35.4 p -71.26 -12.43 61.45 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.855 1.262 . . . . 0.0 114.061 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.41 -12.82 60.33 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 172.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -71.02 144.86 50.28 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.036 0.934 . . . . 0.0 111.644 177.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.8 m -72.74 -11.45 60.62 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -174.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.378 0 C-N-CA 126.705 2.002 . . . . 0.0 111.738 179.235 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.4 m . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.9 m -117.56 8.08 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -175.231 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.6 m -62.58 138.58 58.52 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.509 1.123 . . . . 0.0 112.768 -176.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -17.88 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -176.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.3 mt -139.62 152.11 46.53 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.478 1.911 . . . . 0.0 110.062 173.56 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 -65.82 -24.55 66.92 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.493 0.717 . . . . 0.0 112.827 173.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 60.8 p -81.89 1.7 33.88 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.492 1.917 . . . . 0.0 114.29 171.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.5 t 65.49 -39.35 0.28 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 128.487 2.715 . . . . 0.0 116.6 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.3 t -132.69 139.59 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.866 1.666 . . . . 0.0 110.416 -175.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -89.65 152.06 21.56 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.767 1.227 . . . . 0.0 111.543 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.7 p80 -64.62 -26.33 68.35 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 120.077 -1.639 . . . . 0.0 112.804 176.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.43 -25.63 68.1 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 170.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.39 -34.21 65.41 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.066 0.848 . . . . 0.0 111.502 172.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.1 t -66.11 -40.63 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.327 0.651 . . . . 0.0 110.737 170.294 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.32 -40.89 90.22 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.179 -0.95 . . . . 0.0 113.361 173.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -60.89 -38.88 87.2 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.379 -0.826 . . . . 0.0 111.644 170.492 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.79 94.37 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.173 0.897 . . . . 0.0 111.356 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.3 mt -56.81 -47.62 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 118.485 0.584 . . . . 0.0 111.113 169.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -65.87 -36.06 82.38 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.692 1.133 . . . . 0.0 113.579 176.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -63.68 -44.43 93.76 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.312 -0.867 . . . . 0.0 111.043 175.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.6 mt -62.58 -44.79 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.261 0.624 . . . . 0.0 111.033 172.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.1 tp -58.35 -42.17 86.29 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.802 0.841 . . . . 0.0 111.903 178.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.2 tpt85 -73.31 -38.06 65.98 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.043 0.937 . . . . 0.0 113.209 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -68.94 -39.96 79.27 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.858 0.863 . . . . 0.0 112.426 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.4 p -76.37 -14.88 60.06 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 172.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.3 t30 51.02 40.38 25.36 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.805 1.642 . . . . 0.0 112.723 -176.066 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 t -121.7 -174.64 2.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.225 1.01 . . . . 0.0 112.94 -171.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.1 t -99.23 150.86 21.65 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.739 1.216 . . . . 0.0 111.975 176.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.79 -33.14 73.58 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.244 1.018 . . . . 0.0 111.974 -173.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -63.58 -41.36 98.37 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.27 0.628 . . . . 0.0 111.593 175.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -70.8 -37.11 73.25 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.365 0.666 . . . . 0.0 111.733 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -63.24 -44.53 94.96 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.714 -0.616 . . . . 0.0 111.585 170.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.6 -45.11 95.48 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.874 0.761 . . . . 0.0 111.896 175.078 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -64.46 -37.46 87.6 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.54 -37.03 79.61 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.528 -0.733 . . . . 0.0 112.192 173.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.6 mmm -66.5 -43.11 86.21 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.175 -0.953 . . . . 0.0 111.748 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -66.01 -37.14 85.16 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.613 1.097 . . . . 0.0 112.118 174.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -63.63 -29.63 70.85 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.628 1.171 . . . . 0.0 113.3 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.6 p -105.24 -0.35 26.46 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -175.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.17 27.99 67.19 Favored Glycine 0 CA--C 1.536 1.401 0 O-C-N 121.515 -0.741 . . . . 0.0 113.745 -178.32 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.18 17.05 65.66 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.348 0.975 . . . . 0.0 114.865 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -83.17 94.44 7.86 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.271 1.535 . . . . 0.0 109.727 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.0 t -51.25 -44.57 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 124.22 1.008 . . . . 0.0 111.614 -176.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -59.95 -41.99 93.09 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.4 mt -75.3 -37.3 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.243 0.617 . . . . 0.0 109.71 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.48 -48.68 76.65 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.132 -0.98 . . . . 0.0 111.394 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.2 pt -68.44 -34.61 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 O-C-N 121.392 -0.817 . . . . 0.0 111.276 177.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.91 94.79 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 119.228 0.922 . . . . 0.0 112.604 170.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -65.65 -41.19 92.87 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.39 -0.819 . . . . 0.0 112.292 175.376 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.85 -45.53 94.14 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.385 0.993 . . . . 0.0 112.115 173.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.5 mt -69.21 -28.8 66.68 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.0 m -75.07 -37.05 61.73 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.597 0.759 . . . . 0.0 112.725 171.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -72.85 -37.45 67.41 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.939 1.296 . . . . 0.0 112.856 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 55.13 -167.28 0.09 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.077 1.751 . . . . 0.0 112.931 -173.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.8 t -142.02 149.18 39.66 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.741 1.216 . . . . 0.0 112.124 176.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.7 t -156.99 161.56 39.58 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.745 1.618 . . . . 0.0 111.324 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.8 -140.51 33.22 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 124.407 1.003 . . . . 0.0 113.613 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.98 13.69 78.85 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 124.184 0.897 . . . . 0.0 115.204 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.4 m -65.72 154.68 38.29 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.257 1.423 . . . . 0.0 113.03 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.03 -150.38 44.11 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.023 0.82 . . . . 0.0 113.636 -179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.75 -149.01 44.21 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.241 0.924 . . . . 0.0 113.677 -177.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.8 t -142.37 157.3 44.94 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.301 1.441 . . . . 0.0 112.157 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.253 0.5 OUTLIER -127.65 28.28 5.66 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.993 1.717 . . . . 0.0 114.076 179.696 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.9 mt -113.79 164.48 13.68 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.037 1.735 . . . . 0.0 112.513 -173.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.41 -165.81 53.17 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.442 1.02 . . . . 0.0 114.258 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -175.46 -166.55 33.25 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.011 1.291 . . . . 0.0 113.537 -177.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.1 t -144.85 144.99 31.41 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.905 1.282 . . . . 0.0 112.585 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -80.62 -3.2 90.2 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 125.01 1.29 . . . . 0.0 114.497 172.253 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -76.73 14.33 7.35 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 125.757 1.646 . . . . 0.0 116.455 -175.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.2 t -70.44 148.31 48.47 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.329 1.564 . . . . 0.0 112.73 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -80.02 162.02 25.1 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.454 1.502 . . . . 0.0 112.514 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -72.33 160.15 32.84 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.258 1.023 . . . . 0.0 110.369 168.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -79.26 66.3 4.68 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.491 1.117 . . . . 0.0 111.253 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.7 pp -77.36 154.75 32.46 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 -168.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 75.0 m -82.77 156.53 23.65 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.237 1.415 . . . . 0.0 112.079 172.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.4 m -99.34 0.04 10.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 -171.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 95.3 mttt 63.08 150.66 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 128.61 2.764 . . . . 0.0 116.088 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.05 -173.18 28.48 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.442 1.496 . . . . 0.0 114.311 -176.131 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 60.1 ttm -65.45 138.97 58.46 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.968 -0.725 . . . . 0.0 109.062 169.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -129.59 152.93 48.57 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -169.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -147.11 157.51 43.63 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.22 1.408 . . . . 0.0 112.176 -177.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.08 -37.67 77.63 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.133 1.373 . . . . 0.0 114.016 -173.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.0 m -103.65 11.94 35.45 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.961 1.304 . . . . 0.0 114.305 -174.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -67.04 118.7 10.85 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.209 -0.932 . . . . 0.0 113.49 -170.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.3 p -58.51 -52.52 65.31 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.401 1.08 . . . . 0.0 113.71 -173.082 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -71.04 -34.48 71.3 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -177.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -75.47 -38.74 59.42 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.856 -1.152 . . . . 0.0 112.472 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.9 mm -60.31 -46.23 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 118.495 0.589 . . . . 0.0 109.451 169.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.69 -50.61 73.19 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.954 0.797 . . . . 0.0 112.499 175.021 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -61.68 -47.5 85.04 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.493 1.042 . . . . 0.0 111.5 -176.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.2 ttt-85 -68.99 -34.16 74.84 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 118.387 -0.816 . . . . 0.0 112.18 178.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.4 tp -67.16 -40.79 86.71 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.407 1.003 . . . . 0.0 111.847 173.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 36.8 ttt-85 -69.7 -40.68 76.18 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.776 0.83 . . . . 0.0 110.96 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -62.35 -53.14 59.4 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.961 0.504 . . . . 0.0 111.917 170.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -59.68 -32.97 70.98 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.878 1.271 . . . . 0.0 113.006 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 79.8 t -85.62 -38.49 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.149 0.979 . . . . 0.0 113.145 175.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.3 m -71.38 -32.72 68.79 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.19 0.904 . . . . 0.0 112.786 -178.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.39 175.96 41.14 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 124.323 0.963 . . . . 0.0 114.65 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.6 m -82.96 157.6 22.91 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.584 1.553 . . . . 0.0 112.467 174.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.9 t -145.51 153.24 40.9 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.508 1.123 . . . . 0.0 111.941 174.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -100.85 3.19 41.73 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.525 1.53 . . . . 0.0 113.826 178.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -139.41 168.61 19.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.057 1.343 . . . . 0.0 113.587 -175.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.3 m -70.78 154.15 42.11 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.139 0.976 . . . . 0.0 111.624 169.065 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.362 0 C-N-CA 125.905 1.682 . . . . 0.0 112.248 179.35 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 . . . . . 0 CA--C 1.542 0.653 0 CA-C-O 120.564 0.221 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.8 t -67.73 -41.04 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 121.516 -0.74 . . . . 0.0 111.575 171.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.26 -41.75 97.46 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.512 -0.743 . . . . 0.0 112.298 172.477 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.41 -40.99 98.33 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.188 -0.945 . . . . 0.0 111.97 172.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.22 -41.68 94.18 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 121.704 -0.623 . . . . 0.0 111.738 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.5 mt -57.97 -48.14 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.877 0.871 . . . . 0.0 110.596 170.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.7 -40.97 89.67 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.492 0.717 . . . . 0.0 112.14 178.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -66.42 -31.46 72.23 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 173.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.4 mt -66.05 -40.96 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 119.627 1.103 . . . . 0.0 111.203 169.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.13 -44.41 94.95 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 120.128 1.331 . . . . 0.0 111.19 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -61.4 -45.16 95.51 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.541 1.536 . . . . 0.0 112.373 176.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -68.12 -40.33 82.55 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.316 1.046 . . . . 0.0 113.033 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.3 p -91.22 -2.31 57.51 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.0 t30 52.86 53.99 11.21 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.47 1.508 . . . . 0.0 112.083 -175.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.4 p -136.4 178.3 7.17 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.435 1.094 . . . . 0.0 113.772 -169.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.2 p -101.85 162.06 13.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.534 1.134 . . . . 0.0 111.455 169.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -61.92 -31.25 71.55 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 120.901 -1.125 . . . . 0.0 112.304 171.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -63.99 -45.78 87.51 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.19 0.905 . . . . 0.0 111.058 173.275 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -64.36 -39.17 93.34 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.085 0.554 . . . . 0.0 111.747 176.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -69.12 -38.56 78.94 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.708 -0.62 . . . . 0.0 112.378 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.83 -45.05 95.48 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.439 1.018 . . . . 0.0 110.958 173.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.66 -39.51 94.52 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 175.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.19 -41.21 94.8 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.795 -0.566 . . . . 0.0 112.06 174.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 66.9 mmm -65.35 -42.35 92.94 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.41 -0.807 . . . . 0.0 111.985 174.318 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -63.64 -39.22 93.81 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.359 0.664 . . . . 0.0 111.623 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 t -71.01 -29.5 65.47 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.178 0.991 . . . . 0.0 113.462 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.9 p -104.88 6.14 33.51 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -174.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.57 23.39 70.36 Favored Glycine 0 CA--C 1.537 1.439 0 O-C-N 121.28 -0.888 . . . . 0.0 114.711 176.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.13 7.14 87.36 Favored Glycine 0 CA--C 1.534 1.277 0 N-CA-C 115.769 1.067 . . . . 0.0 115.769 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -78.15 102.13 7.39 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.106 1.453 . . . . 0.0 110.186 174.33 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.6 t -52.63 -41.91 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.755 0.822 . . . . 0.0 111.872 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -60.88 -42.13 97.33 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 41.2 mt -74.53 -38.04 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.138 0.575 . . . . 0.0 109.524 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.12 -50.14 73.1 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.43 0.692 . . . . 0.0 111.448 177.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.7 pt -68.25 -34.84 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.518 -0.739 . . . . 0.0 111.407 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.56 -48.24 82.67 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.05 0.841 . . . . 0.0 112.909 172.803 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -68.05 -37.04 80.87 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.235 -0.916 . . . . 0.0 112.092 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.0 tp -68.69 -29.59 68.07 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.396 1.079 . . . . 0.0 112.692 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.0 mt . . . . . 0 N--CA 1.472 0.632 0 C-N-CA 124.082 0.953 . . . . 0.0 112.063 169.366 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -70.67 -34.82 72.42 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.421 0.688 . . . . 0.0 112.566 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -68.85 -44.35 73.56 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.501 -0.749 . . . . 0.0 111.439 175.302 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.75 -49.23 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.118 0.567 . . . . 0.0 109.58 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.16 -42.25 94.53 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.825 0.739 . . . . 0.0 112.599 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -60.81 -50.34 73.82 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.46 1.027 . . . . 0.0 111.761 175.379 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -68.04 -34.4 76.39 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.903 0.774 . . . . 0.0 112.434 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 69.1 tp -66.97 -45.25 78.28 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.128 0.971 . . . . 0.0 112.022 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.1 ttm-85 -69.84 -37.49 76.17 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-O 118.423 -0.799 . . . . 0.0 111.206 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -69.74 -40.02 76.42 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.604 1.093 . . . . 0.0 112.108 174.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -60.66 -40.52 92.36 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-N 119.305 0.957 . . . . 0.0 112.597 172.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.5 t -79.91 -45.25 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 CA--C 1.541 0.623 0 C-N-CA 123.342 0.657 . . . . 0.0 112.481 -172.088 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.71 -41.15 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 O-C-N 121.487 -0.758 . . . . 0.0 110.693 169.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -65.62 -36.9 85.05 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.416 -0.802 . . . . 0.0 112.506 172.357 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -64.33 -40.26 95.54 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.06 -1.025 . . . . 0.0 111.819 172.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.57 -39.97 95.77 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.567 -0.708 . . . . 0.0 111.455 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.5 mt -58.71 -45.96 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.671 0.788 . . . . 0.0 111.044 169.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.58 -36.67 84.44 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.153 0.888 . . . . 0.0 112.438 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -65.59 -44.81 85.48 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.211 -0.931 . . . . 0.0 111.605 173.729 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 36.4 mt -60.81 -44.18 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 121.61 -0.681 . . . . 0.0 111.07 172.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.2 tp -60.16 -41.73 93.43 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.597 1.159 . . . . 0.0 111.989 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -73.85 -40.34 63.34 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.926 0.89 . . . . 0.0 112.854 175.454 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -62.09 -40.48 95.99 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.212 1.005 . . . . 0.0 112.63 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 77.2 p -80.17 -7.82 59.13 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 173.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.9 t30 50.85 44.53 28.1 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.015 1.726 . . . . 0.0 112.747 -176.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 t -118.34 -175.64 2.91 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -169.7 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.0 t -113.33 144.87 42.02 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.55 1.54 . . . . 0.0 110.088 171.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -66.17 -23.46 66.46 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 120.346 -1.471 . . . . 0.0 113.592 -171.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -65.1 -32.31 73.94 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 120.153 1.342 . . . . 0.0 112.852 169.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -73.1 -34.79 66.39 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.279 -0.888 . . . . 0.0 111.855 170.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -64.74 -37.55 87.99 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.719 0.69 . . . . 0.0 111.393 171.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.26 -47.71 83.14 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.023 -1.048 . . . . 0.0 111.754 170.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.99 -39.46 94.79 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.74 -43.65 79.43 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.726 0.81 . . . . 0.0 112.039 175.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.2 mmm -65.34 -41.51 93.83 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.137 -0.977 . . . . 0.0 111.65 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -71.51 -29.92 65.35 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.248 -0.907 . . . . 0.0 111.933 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.7 m -73.44 -24.42 60.23 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 172.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.1 p -110.35 4.5 20.78 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 -174.191 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.89 24.94 70.65 Favored Glycine 0 CA--C 1.533 1.213 0 O-C-N 121.384 -0.822 . . . . 0.0 113.829 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.02 9.55 86.55 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 115.877 1.111 . . . . 0.0 115.877 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.9 mmt-85 -73.99 104.19 4.75 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.104 1.452 . . . . 0.0 110.251 175.633 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.4 p -58.7 -38.03 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-N 118.626 0.648 . . . . 0.0 112.297 -174.206 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -61.73 -42.5 99.05 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 177.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.6 mt -75.04 -35.63 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.001 0.52 . . . . 0.0 109.987 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.35 -45.87 82.46 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.232 -0.917 . . . . 0.0 111.853 176.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.1 pt -68.16 -34.82 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 O-C-N 121.198 -0.939 . . . . 0.0 111.39 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.95 93.22 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.087 0.858 . . . . 0.0 112.539 170.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -67.01 -40.19 87.23 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 121.095 -1.003 . . . . 0.0 112.836 176.089 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.86 -42.61 99.25 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.152 0.581 . . . . 0.0 111.985 174.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.3 mt . . . . . 0 CA--C 1.542 0.668 0 C-N-CA 123.205 0.602 . . . . 0.0 112.602 175.891 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -71.23 -39.4 71.71 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.14 0.882 . . . . 0.0 113.014 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -70.23 -43.12 71.26 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.062 0.945 . . . . 0.0 111.817 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.3 mm -60.35 -47.51 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.217 1.007 . . . . 0.0 110.09 170.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 45.3 tp -56.56 -46.94 80.44 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 120.04 1.291 . . . . 0.0 111.611 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -57.87 -56.6 19.84 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.6 0.636 . . . . 0.0 111.004 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.6 tpp85 -69.12 -28.17 66.22 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 121.006 -1.059 . . . . 0.0 112.942 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.56 -47.34 70.09 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 120.965 -1.085 . . . . 0.0 111.0 175.583 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -61.47 -40.8 95.83 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 118.876 -0.583 . . . . 0.0 111.535 174.488 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -61.35 -47.78 84.31 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.239 0.927 . . . . 0.0 112.171 174.738 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -57.87 -46.26 85.13 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.007 0.923 . . . . 0.0 111.748 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.3 t -81.72 -38.38 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 122.999 0.52 . . . . 0.0 112.282 -172.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 69.1 m . . . . . 0 CA--C 1.543 0.7 0 CA-C-N 118.668 0.667 . . . . 0.0 112.486 173.395 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 N--CA 1.471 0.623 0 N-CA-C 111.574 0.212 . . . . 0.0 111.574 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.1 t -70.0 -42.95 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 123.258 0.623 . . . . 0.0 111.222 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.65 -43.67 98.42 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.911 0.885 . . . . 0.0 111.573 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -61.26 -42.99 99.58 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.952 0.901 . . . . 0.0 112.283 172.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.03 91.32 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.074 0.852 . . . . 0.0 111.978 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.6 mt -59.46 -47.89 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.701 0.8 . . . . 0.0 110.76 171.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.96 -34.35 77.57 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.822 0.737 . . . . 0.0 112.777 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -64.29 -41.88 96.66 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.095 -1.003 . . . . 0.0 111.988 173.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.4 mt -64.25 -44.0 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 118.718 0.69 . . . . 0.0 111.229 172.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.4 tp -57.6 -43.27 84.54 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.55 1.14 . . . . 0.0 111.654 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 tpp85 -71.44 -46.67 59.44 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.341 1.056 . . . . 0.0 112.404 176.074 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -59.68 -44.18 93.73 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.623 1.169 . . . . 0.0 112.836 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.3 p -83.13 -7.15 59.67 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.5 t30 54.1 59.34 4.29 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.311 1.444 . . . . 0.0 111.554 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.0 m -124.94 158.68 32.99 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -173.201 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.7 p -83.67 160.4 21.34 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.41 0.624 . . . . 0.0 110.024 168.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -66.17 -33.35 75.56 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 120.682 -1.261 . . . . 0.0 112.247 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -67.72 -35.52 78.92 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 118.798 -0.62 . . . . 0.0 112.586 171.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -64.62 -43.84 92.44 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.504 1.047 . . . . 0.0 111.672 172.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.75 -40.83 75.9 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.485 -0.76 . . . . 0.0 111.903 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -59.42 -48.1 82.92 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.72 -0.613 . . . . 0.0 111.059 172.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -61.47 -42.69 99.17 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.59 -36.71 84.71 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.688 -0.632 . . . . 0.0 112.2 175.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.8 mmm -73.32 -38.44 65.8 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.282 -0.886 . . . . 0.0 112.911 176.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -65.27 -40.87 94.49 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.399 1.0 . . . . 0.0 112.131 172.062 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.5 t -67.69 -22.04 65.3 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.174 0.99 . . . . 0.0 113.646 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.9 p -109.93 1.36 19.08 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.08 29.35 72.3 Favored Glycine 0 CA--C 1.537 1.454 0 O-C-N 121.465 -0.772 . . . . 0.0 113.899 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.9 12.73 79.22 Favored Glycine 0 N--CA 1.472 1.041 0 N-CA-C 115.551 0.98 . . . . 0.0 115.551 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -78.08 91.75 4.32 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 119.268 1.534 . . . . 0.0 109.628 175.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.7 t -53.31 -39.56 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.729 0.812 . . . . 0.0 111.907 -175.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.3 ptm85 -61.77 -41.98 98.4 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.474 1.033 . . . . 0.0 113.402 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.3 mt -75.33 -36.27 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 123.138 0.575 . . . . 0.0 109.83 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.72 -49.49 74.87 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.343 -0.848 . . . . 0.0 111.358 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.9 pt -66.55 -35.65 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 119.136 0.88 . . . . 0.0 111.544 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.48 -46.84 83.24 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.413 1.006 . . . . 0.0 112.223 170.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -66.57 -32.72 74.24 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.3 mt -72.06 -27.72 62.87 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 172.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 CA--C 1.543 0.707 0 C-N-CA 123.713 0.805 . . . . 0.0 112.704 174.085 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -70.8 -34.03 71.33 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.718 0.807 . . . . 0.0 111.728 177.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.62 -48.25 70.09 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.444 0.698 . . . . 0.0 111.734 177.399 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 49.9 mm -64.07 -43.65 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 121.601 -0.687 . . . . 0.0 110.544 174.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.42 -43.79 92.99 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 118.92 0.782 . . . . 0.0 111.762 177.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -61.53 -46.02 91.71 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.49 0.716 . . . . 0.0 111.667 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -65.61 -36.97 85.27 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.247 -0.908 . . . . 0.0 112.368 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 22.8 tp -69.93 -39.23 76.25 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.057 0.543 . . . . 0.0 112.129 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -60.05 -44.28 94.78 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.243 0.929 . . . . 0.0 110.988 173.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -63.57 -49.91 71.56 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 122.108 -0.37 . . . . 0.0 111.899 175.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -60.56 -42.67 97.1 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.603 0.761 . . . . 0.0 113.012 -178.282 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.4 t -91.1 -37.22 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.249 0.62 . . . . 0.0 112.638 -172.123 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -175.102 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.5 t -65.64 -44.42 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.358 0.663 . . . . 0.0 110.76 174.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -63.51 -44.93 92.85 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.784 0.834 . . . . 0.0 111.88 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -63.26 -38.8 92.59 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.995 172.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.22 99.38 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 120.479 1.491 . . . . 0.0 111.925 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.4 mt -60.68 -48.79 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.413 0.685 . . . . 0.0 111.002 173.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.7 -29.59 65.92 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -68.91 -40.6 79.02 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.795 1.238 . . . . 0.0 111.436 170.478 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.5 mt -62.74 -44.1 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 118.959 0.8 . . . . 0.0 110.571 172.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.5 tp -57.27 -45.5 83.99 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.198 0.999 . . . . 0.0 111.833 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -63.76 -50.1 70.37 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.305 1.042 . . . . 0.0 112.691 173.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -61.67 -43.81 98.15 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.432 1.093 . . . . 0.0 112.729 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.8 p -76.85 -5.19 47.34 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.9 t30 54.18 35.29 22.15 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.366 1.067 . . . . 0.0 112.429 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.1 p -108.86 172.38 6.88 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.461 1.104 . . . . 0.0 113.439 -169.633 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -104.91 149.48 25.68 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.036 0.934 . . . . 0.0 109.991 168.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.18 -24.76 66.69 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.009 -1.057 . . . . 0.0 113.242 -170.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -60.57 -42.36 96.47 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.613 -0.679 . . . . 0.0 111.642 169.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -75.37 -30.73 60.28 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.667 -0.646 . . . . 0.0 112.436 176.091 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.06 -40.14 94.29 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.459 1.027 . . . . 0.0 111.303 170.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.03 -46.49 87.35 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.048 -1.033 . . . . 0.0 111.577 171.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.19 -40.71 96.95 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 177.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.21 -42.62 79.57 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.549 0.74 . . . . 0.0 111.76 177.178 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 78.6 mmm -65.28 -40.92 94.5 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.221 -0.924 . . . . 0.0 111.912 175.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.61 -34.84 72.56 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.254 -0.904 . . . . 0.0 112.203 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.1 m -73.05 -24.56 60.71 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.8 p -102.49 -0.99 31.42 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.69 26.07 68.26 Favored Glycine 0 CA--C 1.533 1.21 0 O-C-N 121.707 -0.621 . . . . 0.0 113.778 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.49 15.74 70.44 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-O 118.901 -0.944 . . . . 0.0 115.276 178.251 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -83.74 103.07 12.73 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.364 1.582 . . . . 0.0 110.363 174.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.1 t -53.61 -41.71 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.001 0.921 . . . . 0.0 111.319 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -59.65 -43.56 93.86 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.7 mt -75.56 -36.46 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.76 76.0 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.442 -0.787 . . . . 0.0 111.783 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.4 pt -66.59 -36.81 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.348 -0.845 . . . . 0.0 111.457 176.371 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.87 -49.62 76.09 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.864 0.756 . . . . 0.0 112.395 171.481 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -62.95 -39.49 94.78 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 121.265 -0.897 . . . . 0.0 112.4 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.3 mt -67.11 -39.66 86.72 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 N--CA 1.472 0.668 0 CA-C-N 119.203 0.91 . . . . 0.0 113.021 -177.514 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.7 p . . . . . 0 N--CA 1.475 0.792 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -67.95 -37.41 81.54 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.518 -0.739 . . . . 0.0 112.882 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -71.81 -39.21 70.01 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.307 -0.87 . . . . 0.0 111.564 176.486 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.8 mm -60.68 -46.71 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.619 0.768 . . . . 0.0 110.463 171.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.75 -46.03 90.4 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.913 0.778 . . . . 0.0 112.055 174.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -59.77 -52.12 66.81 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.624 0.647 . . . . 0.0 111.498 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -68.29 -31.82 71.53 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.72 -49.1 64.37 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.456 1.025 . . . . 0.0 111.033 174.038 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -65.42 -31.88 73.2 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.982 0.513 . . . . 0.0 111.763 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.86 -46.84 64.67 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.479 0.581 . . . . 0.0 112.161 171.006 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -55.62 -37.41 68.13 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.781 0.833 . . . . 0.0 112.78 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.0 t -92.95 -43.13 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.473 0.692 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -168.633 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 N--CA 1.471 0.624 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.7 t -73.08 -42.58 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 121.66 -0.65 . . . . 0.0 110.256 174.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -60.07 -40.49 89.68 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.45 0.568 . . . . 0.0 112.328 172.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.6 -41.53 99.02 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.116 0.966 . . . . 0.0 112.061 172.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.18 -42.27 99.34 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.711 1.141 . . . . 0.0 111.958 176.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.0 mm -60.18 -48.63 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.004 0.521 . . . . 0.0 110.83 172.516 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -62.24 -34.44 76.51 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.744 0.817 . . . . 0.0 112.96 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -72.07 -41.52 67.27 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.99 -1.069 . . . . 0.0 112.018 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.0 mt -62.75 -44.9 99.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 118.887 0.767 . . . . 0.0 110.797 170.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.4 tp -55.65 -45.2 77.69 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.559 1.143 . . . . 0.0 111.841 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.7 mtm105 -69.57 -45.86 67.7 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.784 0.834 . . . . 0.0 112.864 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -60.56 -35.93 77.23 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.337 0.971 . . . . 0.0 112.378 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.4 p -86.85 -0.94 57.34 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 50.42 37.42 15.56 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.701 1.6 . . . . 0.0 112.912 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 84.9 p -114.31 175.72 5.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.44 1.096 . . . . 0.0 113.549 -168.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -104.79 150.61 24.65 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.678 0.791 . . . . 0.0 109.394 166.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.94 -22.27 66.66 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.628 -1.295 . . . . 0.0 114.02 -169.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -66.59 -34.28 77.53 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 121.368 -0.833 . . . . 0.0 112.592 169.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -72.12 -39.78 68.6 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.321 -0.862 . . . . 0.0 111.118 174.371 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -63.5 -41.65 98.54 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 122.708 0.403 . . . . 0.0 111.101 173.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.96 -49.3 77.25 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.498 0.719 . . . . 0.0 111.579 172.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.45 -39.76 94.41 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.51 87.18 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.436 0.694 . . . . 0.0 112.31 175.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.2 mmm -69.43 -41.16 76.69 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.185 -0.947 . . . . 0.0 111.944 174.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -64.16 -37.83 88.85 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.79 0.836 . . . . 0.0 111.442 176.096 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.9 m -72.5 -19.73 61.48 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 178.318 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.7 p -112.45 -0.19 15.37 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.643 1.177 . . . . 0.0 114.038 -176.366 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.71 28.25 69.48 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.277 -0.889 . . . . 0.0 113.47 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.27 14.36 76.81 Favored Glycine 0 CA--C 1.532 1.123 0 N-CA-C 115.496 0.958 . . . . 0.0 115.496 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.8 mmt-85 -76.95 93.0 3.72 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.33 1.565 . . . . 0.0 109.727 175.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.5 t -51.35 -44.9 32.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 124.155 0.982 . . . . 0.0 111.829 -174.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -60.04 -42.31 94.15 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 38.7 mt -74.6 -38.38 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 123.314 0.646 . . . . 0.0 109.865 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.96 -49.53 74.37 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.829 0.852 . . . . 0.0 111.436 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.9 pt -68.6 -36.3 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.599 -0.688 . . . . 0.0 110.903 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.72 -47.56 85.74 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.379 0.99 . . . . 0.0 113.104 174.52 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -69.01 -39.32 79.36 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.691 -0.631 . . . . 0.0 111.975 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.9 tp -66.75 -34.58 78.15 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.442 0.697 . . . . 0.0 112.72 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.6 mt . . . . . 0 N--CA 1.472 0.652 0 C-N-CA 123.885 0.874 . . . . 0.0 112.193 169.672 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.8 p . . . . . 0 N--CA 1.47 0.531 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -71.04 -43.13 68.49 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -174.01 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -67.04 -39.32 86.92 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.137 0.881 . . . . 0.0 112.139 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.85 -45.56 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 118.568 0.622 . . . . 0.0 110.905 174.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 57.9 tp -58.7 -47.02 85.97 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.666 -0.646 . . . . 0.0 111.731 174.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -60.95 -49.86 75.74 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.445 0.566 . . . . 0.0 111.264 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.1 tpp85 -65.21 -36.17 83.33 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.342 0.974 . . . . 0.0 112.614 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.6 tp -61.55 -45.97 91.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.194 0.906 . . . . 0.0 110.891 173.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -69.44 -38.12 77.68 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.231 0.612 . . . . 0.0 111.97 -176.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -60.4 -52.46 65.15 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.438 0.563 . . . . 0.0 110.719 170.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 19.0 ttt-85 -58.64 -43.77 89.85 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.384 1.074 . . . . 0.0 112.682 -176.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.2 p -94.83 -31.53 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -172.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 55.6 m . . . . . 0 N--CA 1.476 0.851 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -170.91 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 . . . . . 0 N--CA 1.471 0.598 0 CA-C-O 120.728 0.299 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.6 t -76.38 -38.54 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.426 0.69 . . . . 0.0 111.205 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -60.03 -43.73 95.1 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.569 -0.707 . . . . 0.0 111.583 170.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.31 -43.11 98.75 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.365 0.666 . . . . 0.0 111.993 174.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.71 98.13 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.537 -0.727 . . . . 0.0 111.741 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.4 mt -59.72 -49.16 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-O 118.68 -0.676 . . . . 0.0 110.302 175.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.66 -39.3 83.99 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.11 0.868 . . . . 0.0 112.722 176.242 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.61 -45.87 90.86 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 118.617 0.644 . . . . 0.0 111.802 176.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.72 -42.4 95.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 118.352 0.524 . . . . 0.0 110.435 173.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.3 tp -60.01 -44.65 94.45 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.308 1.043 . . . . 0.0 111.872 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -76.04 -33.36 59.61 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 174.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -63.26 -40.93 98.78 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.983 0.81 . . . . 0.0 112.759 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.9 p -88.34 -11.08 47.33 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.4 t30 55.81 17.09 2.31 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 125.391 1.476 . . . . 0.0 114.039 -169.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 97.3 p -81.91 170.72 15.3 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.706 -1.246 . . . . 0.0 113.22 -174.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.9 p -88.61 159.74 17.74 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 167.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.89 -27.85 68.51 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.088 -1.632 . . . . 0.0 111.956 176.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -65.63 -43.86 88.22 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.591 -0.693 . . . . 0.0 111.805 170.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -62.79 -40.9 98.75 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.104 0.562 . . . . 0.0 111.449 174.33 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -67.08 -42.98 83.73 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.719 -0.613 . . . . 0.0 112.239 176.445 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.27 -45.33 94.95 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.941 0.791 . . . . 0.0 110.887 175.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.53 -39.92 95.69 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.59 0.756 . . . . 0.0 112.946 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.6 88.75 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.621 -0.674 . . . . 0.0 112.285 175.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.5 mmm -66.46 -42.84 86.97 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.26 -0.9 . . . . 0.0 111.915 173.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.6 -36.54 84.16 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.505 1.048 . . . . 0.0 112.418 172.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.9 m -70.76 -23.54 62.43 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.9 p -108.14 2.26 22.8 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -177.49 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.49 23.72 64.53 Favored Glycine 0 CA--C 1.535 1.342 0 O-C-N 121.755 -0.591 . . . . 0.0 114.138 177.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.28 58.68 3.3 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.078 0.847 . . . . 0.0 113.586 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.44 107.65 6.08 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.085 0.954 . . . . 0.0 111.021 177.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.04 -43.27 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -168.843 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -63.63 -37.89 89.03 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 119.901 1.228 . . . . 0.0 113.2 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.4 mm -73.01 -37.7 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.444 0.698 . . . . 0.0 110.006 177.044 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.7 -45.74 81.62 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.499 -0.751 . . . . 0.0 111.957 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 pt -68.88 -35.93 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 121.441 -0.787 . . . . 0.0 111.236 175.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.57 -45.82 88.21 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.231 0.923 . . . . 0.0 112.383 171.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -68.9 -33.95 74.61 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.9 mt -65.21 -37.8 88.42 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.305 0.502 . . . . 0.0 112.049 171.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.317 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.6 m . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -71.85 -33.12 68.18 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.8 0.727 . . . . 0.0 112.372 175.31 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -70.13 -46.6 64.44 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.277 -0.889 . . . . 0.0 111.002 175.286 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.81 -47.41 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 123.409 0.684 . . . . 0.0 110.248 173.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.1 tp -58.99 -46.11 88.96 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 118.567 -0.73 . . . . 0.0 112.257 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -63.14 -44.14 96.37 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.981 1.264 . . . . 0.0 111.629 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -69.41 -35.17 75.47 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.012 -1.055 . . . . 0.0 112.976 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.5 tp -66.32 -36.52 83.13 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.534 -0.729 . . . . 0.0 111.525 172.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.1 ttp85 -66.0 -41.93 90.4 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.649 1.18 . . . . 0.0 110.648 174.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -59.34 -52.61 64.89 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.165 0.893 . . . . 0.0 111.097 172.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 64.8 mtp85 -62.55 -39.66 94.33 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.033 0.933 . . . . 0.0 112.959 -176.148 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.5 t -83.54 -47.92 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.376 0.671 . . . . 0.0 112.018 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 81.5 p . . . . . 0 N--CA 1.476 0.829 0 CA-C-N 119.508 1.049 . . . . 0.0 112.247 -177.972 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 . . . . . 0 N--CA 1.471 0.597 0 N-CA-C 111.5 0.185 . . . . 0.0 111.5 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 t -72.28 -39.14 63.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.294 0.638 . . . . 0.0 111.051 176.281 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.54 -44.5 96.93 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.2 0.6 . . . . 0.0 111.98 173.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.87 -41.36 99.35 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.972 0.909 . . . . 0.0 112.235 173.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.96 96.71 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 118.962 0.801 . . . . 0.0 111.576 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.5 mt -60.22 -46.39 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 123.804 0.842 . . . . 0.0 111.016 172.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -34.88 78.82 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.458 -0.776 . . . . 0.0 112.843 178.244 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -65.67 -40.86 92.84 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.757 0.823 . . . . 0.0 111.996 173.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.2 mt -64.97 -45.47 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-N 118.823 0.738 . . . . 0.0 111.021 172.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.8 tp -56.08 -44.48 79.0 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.486 1.114 . . . . 0.0 111.524 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -70.09 -46.29 65.19 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.078 0.951 . . . . 0.0 112.56 176.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -58.86 -41.52 87.22 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.31 1.044 . . . . 0.0 112.512 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.2 p -86.57 -1.83 57.98 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 51.0 33.33 8.76 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.394 1.477 . . . . 0.0 113.15 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.2 p -101.82 174.62 5.87 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.854 1.262 . . . . 0.0 113.921 -168.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.2 p -92.01 155.09 18.36 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.388 0.675 . . . . 0.0 110.018 168.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.426 ' HB3' HG22 ' A' ' 96' ' ' VAL . 38.5 mt-10 -64.45 -31.91 73.31 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.115 -0.99 . . . . 0.0 112.355 178.174 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -67.72 -40.02 84.28 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 122.042 -0.411 . . . . 0.0 111.8 174.081 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -67.29 -39.91 86.06 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.664 0.665 . . . . 0.0 111.935 175.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -65.97 -43.31 88.26 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.936 0.789 . . . . 0.0 112.139 174.672 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.76 -44.57 93.8 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.671 -0.643 . . . . 0.0 111.445 174.327 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -65.71 -40.67 92.47 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.63 -41.87 99.27 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.208 0.603 . . . . 0.0 111.691 174.052 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 69.5 mmm -67.67 -38.02 83.18 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.892 0.877 . . . . 0.0 112.804 174.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -64.79 -42.12 95.3 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.859 0.754 . . . . 0.0 111.529 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.7 p -69.14 -24.48 64.09 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.4 p -102.62 -3.6 26.42 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.936 1.294 . . . . 0.0 113.869 -178.292 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.11 27.38 72.07 Favored Glycine 0 CA--C 1.537 1.418 0 O-C-N 121.579 -0.7 . . . . 0.0 113.645 -177.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.06 14.24 72.59 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 115.351 0.9 . . . . 0.0 115.351 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -77.72 93.23 4.25 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.573 1.686 . . . . 0.0 109.618 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.5 t -53.48 -42.04 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 123.935 0.894 . . . . 0.0 112.28 -170.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -61.96 -41.59 98.17 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.485 1.039 . . . . 0.0 113.447 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.6 mt -74.17 -36.81 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 123.351 0.66 . . . . 0.0 109.563 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.77 -48.34 74.88 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.456 0.702 . . . . 0.0 111.525 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.7 pt -68.58 -35.57 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 119.121 0.873 . . . . 0.0 111.473 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.18 87.43 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.893 0.769 . . . . 0.0 112.859 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -66.23 -42.58 88.45 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.959 0.904 . . . . 0.0 112.058 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.9 tp -63.61 -29.48 70.72 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.166 0.986 . . . . 0.0 112.152 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.8 mt . . . . . 0 N--CA 1.471 0.609 0 C-N-CA 123.733 0.813 . . . . 0.0 112.904 169.688 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.4 p . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -71.48 -38.52 71.2 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.222 0.609 . . . . 0.0 112.423 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -65.0 -46.13 82.66 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.127 0.876 . . . . 0.0 111.897 177.665 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 mp -68.76 -41.66 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.564 -0.71 . . . . 0.0 110.394 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.8 tp -57.88 -45.18 86.77 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 118.888 0.767 . . . . 0.0 111.892 173.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -61.58 -47.14 86.85 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.637 0.653 . . . . 0.0 111.532 176.523 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -36.03 82.64 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.602 0.637 . . . . 0.0 112.312 177.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.6 tp -68.65 -39.76 80.53 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.746 -0.596 . . . . 0.0 111.7 173.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 57.8 ttm-85 -63.58 -39.4 94.28 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.244 0.929 . . . . 0.0 111.273 176.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -61.83 -52.69 63.14 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.26 0.482 . . . . 0.0 111.334 171.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -60.16 -40.54 90.28 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.706 0.802 . . . . 0.0 113.093 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.426 HG22 ' HB3' ' A' ' 29' ' ' GLU . 27.0 t -95.2 -33.46 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.569 0.748 . . . . 0.0 113.0 -172.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -170.374 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.9 t -69.41 -41.36 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.783 0.833 . . . . 0.0 110.638 175.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.23 -40.43 94.06 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.574 0.75 . . . . 0.0 112.775 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -63.26 -41.48 99.04 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.914 0.885 . . . . 0.0 111.588 172.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.38 94.83 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 118.793 0.724 . . . . 0.0 111.903 176.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.1 mt -58.73 -48.63 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.648 0.779 . . . . 0.0 111.137 171.352 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -67.03 -38.29 85.65 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.513 0.597 . . . . 0.0 111.768 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.46 -43.54 93.17 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.104 -0.998 . . . . 0.0 111.76 173.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.4 mt -63.53 -44.99 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 118.853 0.751 . . . . 0.0 111.005 173.295 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.7 tp -56.86 -47.53 80.2 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.521 1.129 . . . . 0.0 111.952 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -74.88 -37.46 62.15 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 118.887 -0.577 . . . . 0.0 112.336 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -64.58 -41.34 96.33 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 118.965 0.802 . . . . 0.0 112.611 178.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.5 p -83.44 -5.92 59.3 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 175.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.3 t30 51.35 45.57 27.76 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.663 1.585 . . . . 0.0 112.573 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.2 p -112.83 172.86 6.68 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.002 1.321 . . . . 0.0 113.724 -169.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.4 p -91.95 153.68 19.32 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.579 0.752 . . . . 0.0 110.38 169.124 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.71 -36.4 83.5 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.233 -0.917 . . . . 0.0 111.321 -177.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -66.82 -36.26 81.96 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 173.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -71.7 -33.75 69.04 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.435 1.016 . . . . 0.0 112.381 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -67.15 -43.92 81.1 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.752 0.706 . . . . 0.0 111.436 170.863 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.36 -43.37 96.6 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.227 -0.921 . . . . 0.0 111.375 174.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.58 -40.42 96.85 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.145 0.578 . . . . 0.0 112.304 174.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.78 85.04 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.6 -0.687 . . . . 0.0 112.146 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.6 mmm -67.84 -42.42 81.46 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.383 -0.823 . . . . 0.0 112.326 172.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -65.07 -36.93 85.89 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.658 1.117 . . . . 0.0 112.384 174.443 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.8 t -66.2 -26.91 67.61 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.312 1.045 . . . . 0.0 113.148 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.5 p -111.71 3.31 17.72 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -173.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.08 23.99 72.84 Favored Glycine 0 CA--C 1.533 1.19 0 O-C-N 121.668 -0.645 . . . . 0.0 113.693 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.76 8.05 83.3 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 118.328 -1.262 . . . . 0.0 116.007 175.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.9 mtt85 -78.12 110.66 13.29 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 120.011 1.906 . . . . 0.0 110.495 173.283 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.6 t -59.29 -38.69 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-O 118.591 -0.719 . . . . 0.0 111.677 -176.08 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -60.49 -44.07 96.34 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 119.752 1.16 . . . . 0.0 113.478 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.1 mm -76.37 -34.93 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 122.602 0.361 . . . . 0.0 110.133 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.12 -49.97 73.76 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.53 -0.731 . . . . 0.0 111.241 174.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.5 pt -67.7 -33.32 61.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 119.365 0.984 . . . . 0.0 111.721 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.61 -47.74 83.32 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.173 0.897 . . . . 0.0 112.597 171.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -69.28 -38.67 78.45 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.932 -1.105 . . . . 0.0 112.669 175.24 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.0 tp -63.19 -34.17 77.06 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.389 1.076 . . . . 0.0 112.247 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 CA--C 1.54 0.563 0 C-N-CA 124.229 1.012 . . . . 0.0 113.004 171.119 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.472 0.637 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -71.96 -32.41 67.25 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.511 1.05 . . . . 0.0 112.871 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -62.94 -48.01 80.74 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 118.937 0.789 . . . . 0.0 111.428 172.39 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.0 mm -61.98 -43.03 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.05 0.94 . . . . 0.0 110.567 175.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 66.6 tp -59.79 -47.76 84.39 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.434 1.015 . . . . 0.0 112.173 174.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -57.29 -53.85 53.46 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.06 0.846 . . . . 0.0 111.561 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -67.0 -36.37 82.01 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 118.075 -0.964 . . . . 0.0 112.123 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 34.4 tp -68.95 -41.14 78.4 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 120.383 1.447 . . . . 0.0 111.378 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 50.7 ttt85 -69.4 -37.27 77.42 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.598 0.635 . . . . 0.0 111.389 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -66.54 -48.93 68.14 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.302 0.501 . . . . 0.0 111.78 170.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -61.04 -37.36 82.35 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.5 1.12 . . . . 0.0 113.466 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.1 t -93.66 -38.15 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -176.833 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -168.945 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 . . . . . 0 N--CA 1.468 0.456 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.1 t -72.69 -33.35 44.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 121.448 -0.783 . . . . 0.0 111.987 175.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.7 -41.74 95.81 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 120.809 -1.182 . . . . 0.0 112.092 171.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -61.46 -42.82 99.36 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.951 0.5 . . . . 0.0 111.991 170.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.47 -42.34 98.6 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.57 -0.706 . . . . 0.0 112.009 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.2 mt -61.66 -45.79 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.21 1.004 . . . . 0.0 111.166 174.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.95 -39.63 94.58 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.21 0.914 . . . . 0.0 112.781 176.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -62.79 -43.76 97.95 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.421 -0.8 . . . . 0.0 111.281 174.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.6 mt -63.37 -45.9 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.437 0.695 . . . . 0.0 111.575 174.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.7 tp -56.9 -45.1 82.86 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.872 1.269 . . . . 0.0 111.417 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 -72.86 -41.34 64.87 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 175.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -61.68 -40.73 96.01 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.014 0.925 . . . . 0.0 112.872 177.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.0 p -80.92 -8.92 59.86 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 174.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 52.64 33.83 14.56 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.635 1.574 . . . . 0.0 113.239 -173.401 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.8 p -100.17 173.31 6.69 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.51 1.124 . . . . 0.0 113.165 -173.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.9 p -98.78 158.09 15.86 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.944 0.898 . . . . 0.0 110.259 168.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.4 -33.73 74.18 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.075 -1.015 . . . . 0.0 112.267 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -68.07 -39.2 83.0 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.36 0.664 . . . . 0.0 112.083 173.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -69.09 -36.84 78.04 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.653 -0.654 . . . . 0.0 112.018 174.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.26 -39.56 82.18 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.233 -0.917 . . . . 0.0 111.757 174.692 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.74 -48.68 80.36 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.426 -0.796 . . . . 0.0 111.742 170.018 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.19 -41.44 96.82 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 177.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.0 -39.93 90.71 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.341 0.657 . . . . 0.0 112.295 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 79.1 mmm -67.06 -43.86 81.6 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.254 -0.904 . . . . 0.0 111.941 174.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.9 -37.58 84.64 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.371 0.987 . . . . 0.0 112.286 176.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.1 t -71.11 -27.45 63.6 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.29 1.036 . . . . 0.0 113.449 177.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.8 p -98.52 -2.41 38.85 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.75 25.02 75.03 Favored Glycine 0 CA--C 1.536 1.351 0 O-C-N 121.341 -0.849 . . . . 0.0 113.815 -177.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.69 7.05 79.23 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 116.081 1.192 . . . . 0.0 116.081 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -74.14 89.5 1.99 Allowed 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 118.711 1.255 . . . . 0.0 109.791 173.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.5 p -56.62 -35.3 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.794 0.838 . . . . 0.0 113.023 -172.227 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -60.78 -40.55 93.01 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.121 0.873 . . . . 0.0 113.337 173.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.6 mt -73.9 -36.09 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 122.944 0.497 . . . . 0.0 109.915 176.383 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.06 -47.14 81.29 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.2 -0.937 . . . . 0.0 111.738 177.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.0 pt -68.06 -37.76 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.396 -0.815 . . . . 0.0 111.343 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.84 91.86 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.917 0.78 . . . . 0.0 112.622 171.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -67.63 -39.33 84.65 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.469 1.108 . . . . 0.0 112.131 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.94 -38.58 83.0 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.511 0.725 . . . . 0.0 112.383 174.619 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 80.3 mt . . . . . 0 N--CA 1.474 0.731 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 175.497 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.5 p . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -63.97 -43.34 96.05 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.216 0.916 . . . . 0.0 111.809 168.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -66.08 -39.23 89.86 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 118.469 -0.777 . . . . 0.0 112.585 174.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.7 mm -60.87 -49.56 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-N 119.477 1.035 . . . . 0.0 110.11 172.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.47 -44.14 96.21 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.91 0.777 . . . . 0.0 111.524 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -62.84 -47.0 85.29 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.8 0.727 . . . . 0.0 111.466 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -41.88 99.6 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 121.286 -0.884 . . . . 0.0 111.779 177.446 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.06 -49.48 61.08 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.344 1.058 . . . . 0.0 111.744 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -61.6 -42.4 98.81 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.631 0.773 . . . . 0.0 111.426 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -69.67 -39.8 76.79 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.716 -0.615 . . . . 0.0 112.236 176.867 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.9 ttt-85 -58.36 -44.53 88.84 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.834 0.854 . . . . 0.0 112.629 174.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.3 t -87.74 -38.65 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -174.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -171.621 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 111.198 0.073 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -74.45 -35.53 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 122.927 0.491 . . . . 0.0 111.803 175.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -60.89 -46.56 90.15 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.086 0.857 . . . . 0.0 112.099 171.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -64.36 -40.39 95.76 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.086 0.954 . . . . 0.0 112.38 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.54 -42.86 95.44 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.073 0.851 . . . . 0.0 111.85 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.1 mt -62.2 -47.77 91.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.701 0.8 . . . . 0.0 110.764 174.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.76 -39.94 95.73 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.089 0.858 . . . . 0.0 112.823 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -64.27 -44.75 90.77 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.3 -0.875 . . . . 0.0 111.92 175.27 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.8 mt -63.3 -44.68 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 118.72 0.691 . . . . 0.0 110.806 174.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 42.2 tp -56.19 -45.55 79.74 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.445 1.098 . . . . 0.0 111.85 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -73.12 -43.97 60.89 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.455 0.702 . . . . 0.0 112.641 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -61.91 -39.33 91.62 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.921 0.888 . . . . 0.0 112.732 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.6 p -80.85 -5.88 57.88 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.4 t30 50.83 38.94 21.13 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.376 1.471 . . . . 0.0 113.124 -178.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.9 m -118.74 171.61 8.08 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.847 1.259 . . . . 0.0 112.771 -170.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.3 p -87.88 161.89 17.24 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.471 0.709 . . . . 0.0 110.935 170.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -65.61 -31.15 72.02 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.117 -0.99 . . . . 0.0 111.622 175.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -67.92 -43.0 80.2 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.639 -0.663 . . . . 0.0 112.089 172.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -64.13 -38.92 92.79 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.781 0.719 . . . . 0.0 111.626 174.385 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -64.29 -44.57 91.23 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.309 0.504 . . . . 0.0 111.733 174.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.82 -44.42 96.94 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.951 0.796 . . . . 0.0 111.657 174.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.04 -39.86 95.03 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.48 -41.82 88.39 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.744 -0.598 . . . . 0.0 112.128 175.017 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.0 mmm -62.11 -43.07 99.63 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.614 -0.679 . . . . 0.0 111.543 173.228 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -64.82 -42.43 94.98 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.332 -0.855 . . . . 0.0 111.987 175.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.1 t -67.45 -32.4 73.24 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.238 1.015 . . . . 0.0 113.221 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.6 p -97.9 3.08 49.77 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.34 21.35 64.91 Favored Glycine 0 CA--C 1.533 1.21 0 O-C-N 121.353 -0.842 . . . . 0.0 114.289 174.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.41 -2.95 83.65 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 116.115 1.206 . . . . 0.0 116.115 174.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -75.92 108.53 8.86 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.492 1.646 . . . . 0.0 110.425 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.0 p -61.14 -36.14 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -171.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -62.1 -40.3 95.41 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 121.24 -0.913 . . . . 0.0 113.305 175.414 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.0 mt -74.96 -35.37 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.648 0.779 . . . . 0.0 109.865 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.97 77.88 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.496 -0.753 . . . . 0.0 112.05 175.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 pt -67.74 -35.24 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 121.208 -0.933 . . . . 0.0 111.348 176.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.33 -42.94 92.62 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.34 0.973 . . . . 0.0 112.854 169.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -66.36 -35.5 80.5 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.785 0.834 . . . . 0.0 112.744 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.2 mt -72.57 -36.52 68.21 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 175.284 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.5 mt . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -175.837 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.472 0.643 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -71.4 -32.44 68.43 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.171 -0.956 . . . . 0.0 112.991 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -64.48 -47.15 80.04 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.002 0.819 . . . . 0.0 111.501 173.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.0 mm -62.51 -44.26 99.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.521 0.728 . . . . 0.0 110.162 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 58.6 tp -58.15 -53.78 54.39 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.374 0.988 . . . . 0.0 112.204 176.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -68.07 -40.49 82.73 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.751 0.705 . . . . 0.0 111.567 -174.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -65.2 -35.29 80.59 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.969 0.804 . . . . 0.0 112.26 173.008 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 26.3 tp -70.79 -36.07 72.84 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.448 1.022 . . . . 0.0 112.275 175.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -62.79 -45.83 90.84 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.063 0.945 . . . . 0.0 111.134 173.758 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -61.53 -50.48 72.51 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 117.923 0.329 . . . . 0.0 111.475 174.301 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.9 ttt85 -60.04 -41.13 91.63 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.907 1.283 . . . . 0.0 113.796 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.6 t -96.94 -34.53 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.611 0.765 . . . . 0.0 112.464 -173.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -172.874 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 . . . . . 0 CA--C 1.541 0.615 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.9 t -67.34 -47.67 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.648 0.779 . . . . 0.0 112.027 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -68.57 -37.16 79.65 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.473 -0.767 . . . . 0.0 112.333 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -62.36 -42.13 99.16 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.866 0.867 . . . . 0.0 112.151 169.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.11 -38.75 92.19 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 118.786 0.721 . . . . 0.0 111.602 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.7 mt -59.12 -47.78 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.721 0.809 . . . . 0.0 111.211 172.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.24 -35.31 80.09 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.699 1.136 . . . . 0.0 113.693 175.432 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -63.64 -44.37 94.08 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.273 -0.892 . . . . 0.0 111.015 175.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 53.9 mt -63.72 -43.83 98.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.671 0.788 . . . . 0.0 111.18 173.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.0 tp -58.41 -43.31 88.56 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.608 0.763 . . . . 0.0 112.059 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -68.64 -47.11 67.42 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.08 0.952 . . . . 0.0 112.375 175.305 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -62.34 -41.07 98.26 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.15 0.98 . . . . 0.0 113.233 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.7 p -84.63 -11.13 56.55 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 52.02 41.33 29.72 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.515 1.526 . . . . 0.0 113.065 174.47 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.0 t -131.26 -176.09 3.91 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.786 1.234 . . . . 0.0 111.936 178.216 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.4 p -85.15 161.05 19.8 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.626 0.77 . . . . 0.0 112.568 -176.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.13 -33.92 77.18 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 121.294 -0.879 . . . . 0.0 111.259 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -64.74 -46.65 81.32 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 118.864 -0.588 . . . . 0.0 111.341 172.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -64.43 -32.14 73.63 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.257 0.935 . . . . 0.0 112.627 177.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.41 -44.07 75.84 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.163 0.892 . . . . 0.0 112.101 171.288 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.04 -43.43 98.9 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.081 0.855 . . . . 0.0 111.412 174.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.67 -41.84 98.12 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.298 1.039 . . . . 0.0 112.8 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.84 -39.67 87.71 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.19 0.596 . . . . 0.0 111.963 175.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.0 mmm -65.95 -42.68 89.68 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.701 0.8 . . . . 0.0 112.142 174.343 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -65.54 -38.78 90.62 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.506 -0.746 . . . . 0.0 111.883 175.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -70.07 -20.72 63.21 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.4 p -113.54 3.59 15.8 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.08 26.13 64.98 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 123.791 0.71 . . . . 0.0 114.272 175.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.07 8.99 86.74 Favored Glycine 0 CA--C 1.535 1.305 0 N-CA-C 115.718 1.047 . . . . 0.0 115.718 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -78.41 99.77 6.54 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.956 1.378 . . . . 0.0 109.774 174.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 67.0 t -54.59 -42.06 58.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 123.789 0.836 . . . . 0.0 111.886 -172.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -61.25 -41.76 97.47 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.249 0.931 . . . . 0.0 113.376 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.2 mt -74.16 -37.33 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.347 0.659 . . . . 0.0 109.753 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.27 -49.61 73.41 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.668 0.787 . . . . 0.0 111.842 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 pt -68.58 -35.42 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-O 118.668 -0.682 . . . . 0.0 111.178 177.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.48 -46.08 91.42 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.473 1.033 . . . . 0.0 112.835 171.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -66.36 -40.39 89.76 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 121.357 -0.84 . . . . 0.0 111.851 177.324 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.4 tp -68.13 -34.75 76.93 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.012 0.925 . . . . 0.0 112.807 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 70.9 mt . . . . . 0 N--CA 1.473 0.69 0 C-N-CA 123.743 0.817 . . . . 0.0 112.468 170.28 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.0 p . . . . . 0 N--CA 1.476 0.872 0 CA-C-O 121.244 0.545 . . . . 0.0 112.257 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -71.62 -31.76 67.24 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.163 0.985 . . . . 0.0 112.129 172.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -65.22 -41.56 94.3 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.928 1.24 . . . . 0.0 112.229 171.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.2 -47.13 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 119.389 0.995 . . . . 0.0 109.921 172.452 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 58.5 tp -55.77 -47.05 77.7 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.84 0.746 . . . . 0.0 112.175 174.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -61.61 -50.54 72.15 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.511 0.724 . . . . 0.0 111.519 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -64.4 -36.38 83.97 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.295 -0.878 . . . . 0.0 112.029 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.7 tp -65.78 -40.93 92.44 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.313 0.96 . . . . 0.0 111.557 174.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.5 ttp180 -63.09 -48.92 76.56 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.73 0.696 . . . . 0.0 111.195 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -66.6 -42.79 86.37 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.448 0.567 . . . . 0.0 111.735 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -62.3 -39.17 92.11 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.121 0.968 . . . . 0.0 112.879 177.627 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.0 t -83.89 -48.2 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.553 0.741 . . . . 0.0 112.512 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 N--CA 1.472 0.637 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -172.861 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 . . . . . 0 N--CA 1.47 0.55 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.6 t -71.13 -45.46 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.208 0.603 . . . . 0.0 110.636 174.878 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.19 -41.44 97.07 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.844 -0.535 . . . . 0.0 112.289 175.196 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -61.47 -42.6 99.03 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.654 0.781 . . . . 0.0 111.831 173.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.5 -40.29 85.19 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.805 0.729 . . . . 0.0 112.25 176.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.2 mt -58.54 -48.74 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 123.535 0.734 . . . . 0.0 110.207 171.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -69.31 -34.62 74.95 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.022 0.828 . . . . 0.0 113.157 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -60.26 -51.68 68.51 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.35 0.66 . . . . 0.0 110.786 169.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 55.7 mt -59.45 -44.3 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 118.632 0.651 . . . . 0.0 111.148 176.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.8 tp -57.14 -44.97 83.88 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.743 1.217 . . . . 0.0 112.18 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.3 mtm105 -73.29 -41.19 63.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.651 0.78 . . . . 0.0 113.098 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -63.99 -36.39 83.83 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.501 1.046 . . . . 0.0 112.583 177.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.1 p -82.47 -9.71 59.32 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 173.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.4 t30 50.34 46.14 25.39 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.31 1.444 . . . . 0.0 112.279 -172.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.9 t -114.47 176.44 5.05 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.541 1.136 . . . . 0.0 112.949 -169.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 t -111.22 150.31 29.73 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.993 1.317 . . . . 0.0 110.281 168.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -64.23 -27.73 69.26 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.913 -1.117 . . . . 0.0 112.759 -169.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -65.71 -42.5 91.05 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.388 -0.82 . . . . 0.0 112.233 171.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -72.1 -33.54 67.93 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.541 -0.725 . . . . 0.0 112.068 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -63.28 -43.85 96.74 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.643 -0.661 . . . . 0.0 111.048 171.187 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -62.74 -43.6 98.38 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.273 -0.892 . . . . 0.0 111.545 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.95 -41.05 95.54 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.16 -40.37 90.47 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.333 0.653 . . . . 0.0 112.184 175.12 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 82.3 mmm -63.5 -44.39 94.48 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.414 -0.804 . . . . 0.0 111.74 173.143 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.72 -41.2 99.03 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.005 0.82 . . . . 0.0 111.946 176.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.1 t -66.54 -30.52 70.85 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.028 0.931 . . . . 0.0 113.412 176.661 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.6 p -101.84 5.28 41.0 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -177.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.53 21.45 69.4 Favored Glycine 0 CA--C 1.537 1.413 0 O-C-N 121.245 -0.909 . . . . 0.0 114.567 175.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.52 6.65 83.26 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 124.482 1.039 . . . . 0.0 114.615 -178.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.0 mtt85 -77.3 97.04 4.74 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.24 1.52 . . . . 0.0 110.846 174.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.6 p -53.88 -37.75 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 123.51 0.724 . . . . 0.0 112.561 178.553 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -60.79 -42.58 97.86 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.245 0.93 . . . . 0.0 113.417 176.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.2 mm -78.93 -33.89 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.337 0.655 . . . . 0.0 110.82 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.82 -50.27 72.99 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.436 -0.79 . . . . 0.0 111.198 174.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.3 pt -68.69 -34.47 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 121.417 -0.802 . . . . 0.0 111.611 177.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.72 -44.12 90.34 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.307 0.958 . . . . 0.0 112.544 169.542 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -67.02 -30.81 71.0 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.156 0.982 . . . . 0.0 113.2 176.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.22 -36.82 74.8 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.708 0.685 . . . . 0.0 112.589 169.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 CA--C 1.544 0.735 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -173.36 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.1 p . . . . . 0 N--CA 1.469 0.504 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -70.37 -45.46 65.99 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -167.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -66.63 -44.42 82.05 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.754 1.161 . . . . 0.0 111.039 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 42.8 mm -59.35 -49.73 82.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.055 0.942 . . . . 0.0 110.475 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.83 -45.99 83.81 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.664 0.666 . . . . 0.0 111.48 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -61.25 -49.86 75.38 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.486 1.039 . . . . 0.0 111.341 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.6 tpp85 -70.53 -31.53 68.63 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.576 1.08 . . . . 0.0 113.085 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.0 tp -67.96 -40.18 83.23 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.16 0.891 . . . . 0.0 111.881 172.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.3 ttp85 -65.19 -42.61 93.43 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.691 1.196 . . . . 0.0 110.966 175.595 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -60.99 -51.72 68.04 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.376 0.535 . . . . 0.0 111.019 175.636 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -61.44 -41.43 97.19 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.4 t -86.78 -39.61 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -174.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 CA--C 1.544 0.724 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -169.884 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 CA--C 1.543 0.679 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 m -71.11 -32.3 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 CA-C-N 119.571 1.078 . . . . 0.0 113.161 173.221 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -68.51 -39.7 81.13 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.804 1.184 . . . . 0.0 112.557 172.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -60.89 -43.01 99.09 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.344 -0.848 . . . . 0.0 111.258 169.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.78 98.26 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.791 -0.568 . . . . 0.0 111.801 176.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.0 mt -58.08 -45.81 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.037 0.935 . . . . 0.0 111.415 170.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -36.75 83.58 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.394 0.997 . . . . 0.0 112.592 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -67.88 -40.3 83.59 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.208 -0.933 . . . . 0.0 111.732 173.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.3 mt -62.28 -45.15 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.398 0.679 . . . . 0.0 110.754 172.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.7 tp -58.56 -44.76 89.83 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.719 1.208 . . . . 0.0 111.814 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.7 mtt-85 -69.5 -41.56 75.91 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.521 0.728 . . . . 0.0 112.779 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -65.21 -45.51 84.45 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.175 0.99 . . . . 0.0 112.812 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.7 p -75.31 -13.44 60.42 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.295 13.9 p30 51.27 33.87 10.52 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.664 1.586 . . . . 0.0 114.334 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.1 m -114.74 173.35 6.52 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.273 1.429 . . . . 0.0 111.978 177.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.5 p -79.31 160.57 26.72 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.543 0.687 . . . . 0.0 111.593 174.324 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -64.37 -31.28 72.42 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.459 -0.775 . . . . 0.0 111.581 172.54 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -67.83 -43.87 78.55 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.225 0.61 . . . . 0.0 111.841 176.036 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.13 -33.0 72.76 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.258 -0.901 . . . . 0.0 111.826 175.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -65.3 -41.05 94.46 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.391 -0.818 . . . . 0.0 111.628 171.046 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.52 -49.08 78.98 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.589 0.756 . . . . 0.0 111.813 172.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.34 -39.98 84.91 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 177.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.06 -42.69 80.1 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 175.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.3 mmm -62.39 -42.34 99.35 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.058 -1.026 . . . . 0.0 111.646 174.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -68.69 -35.43 77.17 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.298 -0.876 . . . . 0.0 112.475 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 m -77.96 -24.42 48.15 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 78.3 p -101.35 1.31 38.41 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.17 25.27 49.07 Favored Glycine 0 CA--C 1.533 1.165 0 O-C-N 121.726 -0.608 . . . . 0.0 114.156 176.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.52 2.45 88.92 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-O 118.501 -1.166 . . . . 0.0 115.736 175.316 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -78.28 114.89 17.58 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.79 1.795 . . . . 0.0 111.249 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.23 -39.36 78.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-O 119.134 -0.46 . . . . 0.0 112.033 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -61.68 -41.76 98.0 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.0 mm -75.4 -36.38 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 122.986 0.514 . . . . 0.0 110.188 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.01 -47.46 74.4 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.64 -0.662 . . . . 0.0 111.972 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 pt -66.81 -35.42 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.439 -0.788 . . . . 0.0 111.264 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.87 -45.42 92.54 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.79 1.177 . . . . 0.0 112.794 171.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -64.74 -36.82 85.53 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 121.413 -0.804 . . . . 0.0 112.705 176.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mp -69.34 -39.0 78.43 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 N--CA 1.475 0.806 0 CA-C-N 119.364 0.984 . . . . 0.0 112.31 176.526 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.8 m . . . . . 0 N--CA 1.472 0.674 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -67.24 -42.25 84.3 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.041 0.837 . . . . 0.0 112.207 178.452 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -67.26 -41.25 85.85 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.504 -0.748 . . . . 0.0 111.461 175.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 32.2 mm -61.89 -47.38 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-O 118.719 -0.657 . . . . 0.0 110.646 174.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 58.2 tp -59.35 -48.88 79.97 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.769 1.168 . . . . 0.0 111.914 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -58.31 -53.75 54.77 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.283 0.492 . . . . 0.0 110.895 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -67.14 -35.13 79.05 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 118.264 -0.874 . . . . 0.0 112.604 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.98 -50.98 60.58 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.392 0.997 . . . . 0.0 111.008 176.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -63.12 -41.03 99.25 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.286 0.634 . . . . 0.0 110.824 -178.021 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -68.44 -46.57 69.48 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.094 0.861 . . . . 0.0 112.793 174.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -25.06 65.04 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.609 1.095 . . . . 0.0 113.845 -177.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.8 p -88.72 -36.79 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 173.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.1 p . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 -174.364 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 . . . . . 0 CA--C 1.543 0.69 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.0 t -73.31 -35.59 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 O-C-N 121.506 -0.746 . . . . 0.0 112.226 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.413 ' CG ' HH21 ' A' ' 95' ' ' ARG . 18.8 t70 -64.11 -43.37 95.55 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 121.19 -0.944 . . . . 0.0 111.65 174.575 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.39 -41.45 98.67 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.938 0.895 . . . . 0.0 112.237 169.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.66 88.21 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.618 -0.676 . . . . 0.0 111.879 176.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.8 mt -62.33 -47.42 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.614 172.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -62.65 -36.71 83.71 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 120.468 1.485 . . . . 0.0 113.025 175.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -64.36 -43.4 94.66 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.172 -0.955 . . . . 0.0 111.769 175.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 54.1 mt -63.51 -43.75 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.798 0.839 . . . . 0.0 110.906 173.379 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.1 tp -60.48 -42.54 96.48 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.49 1.116 . . . . 0.0 111.501 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -68.33 -45.04 73.98 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.179 0.991 . . . . 0.0 112.441 173.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -64.2 -40.12 95.41 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.8 p -85.18 -13.22 50.71 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -176.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.6 t30 52.91 52.02 14.73 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.814 1.246 . . . . 0.0 112.443 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -136.81 169.16 18.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.465 1.506 . . . . 0.0 111.987 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.7 p -84.74 161.57 19.96 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.312 0.645 . . . . 0.0 111.989 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -66.03 -31.32 72.15 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.162 -0.961 . . . . 0.0 111.666 174.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -65.23 -44.95 86.56 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 122.99 0.516 . . . . 0.0 111.332 173.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -64.38 -36.93 85.75 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.516 0.598 . . . . 0.0 111.781 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -66.72 -42.03 87.0 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.557 -0.714 . . . . 0.0 111.847 174.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.74 -48.48 81.61 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.902 0.773 . . . . 0.0 111.036 173.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -59.07 -41.47 88.05 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.44 -38.86 92.5 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.382 0.673 . . . . 0.0 112.295 175.037 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 85.3 mmm -69.53 -39.8 77.27 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.899 -1.126 . . . . 0.0 112.657 175.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.64 -44.1 82.85 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.432 1.015 . . . . 0.0 112.008 175.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.2 m -71.92 -19.35 61.93 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 64.2 p -94.52 -2.79 51.02 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 171.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.43 26.13 66.44 Favored Glycine 0 CA--C 1.534 1.257 0 O-C-N 121.761 -0.587 . . . . 0.0 113.762 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.6 59.23 2.39 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.015 0.817 . . . . 0.0 112.976 -175.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.0 mmt-85 -133.54 101.49 5.15 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 118.123 0.961 . . . . 0.0 112.857 171.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.8 p -58.55 -38.27 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.688 0.795 . . . . 0.0 113.077 -175.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -62.08 -43.41 98.89 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 119.557 1.071 . . . . 0.0 113.22 176.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.4 mt -74.17 -35.65 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.421 0.688 . . . . 0.0 110.029 178.323 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.4 -46.12 77.69 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.545 -0.722 . . . . 0.0 111.748 177.221 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.9 pt -66.94 -36.17 76.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 119.435 1.016 . . . . 0.0 111.473 174.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.72 -43.49 90.14 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.163 0.892 . . . . 0.0 112.249 169.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -65.53 -39.06 91.36 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.307 1.043 . . . . 0.0 112.209 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.37 -31.89 70.59 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 174.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.6 mt . . . . . 0 N--CA 1.475 0.801 0 CA-C-N 119.051 0.842 . . . . 0.0 112.974 174.774 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.7 m . . . . . 0 N--CA 1.474 0.756 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -63.47 -40.58 97.49 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.259 0.936 . . . . 0.0 113.191 -172.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -67.44 -40.31 85.43 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.794 0.725 . . . . 0.0 111.728 176.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.37 -45.32 93.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.4 0.68 . . . . 0.0 109.371 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.84 -48.71 80.4 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.791 0.836 . . . . 0.0 111.661 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -57.4 -52.39 65.54 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.633 0.651 . . . . 0.0 111.567 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -69.13 -29.76 67.87 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.275 -0.89 . . . . 0.0 113.008 -176.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.5 tp -71.21 -36.17 71.78 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.171 0.896 . . . . 0.0 111.894 173.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -65.84 -38.27 88.44 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 118.757 0.708 . . . . 0.0 111.732 171.036 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -60.82 -53.34 58.58 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.069 0.85 . . . . 0.0 110.981 172.178 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ARG . . . . . 0.413 HH21 ' CG ' ' A' ' 15' ' ' ASP . 19.2 mtt180 -59.01 -43.72 91.57 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -178.333 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.3 t -95.63 -33.93 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -171.371 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -173.605 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.1 t -79.2 -33.26 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 118.954 -0.546 . . . . 0.0 111.392 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.58 -44.93 95.67 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.543 1.065 . . . . 0.0 112.044 169.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.97 -43.03 99.9 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.565 0.746 . . . . 0.0 111.832 174.237 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.73 96.9 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 118.623 0.647 . . . . 0.0 111.89 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 50.8 mt -60.12 -48.58 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.458 174.308 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.35 -38.36 86.68 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.515 1.052 . . . . 0.0 112.905 177.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -61.54 -47.78 84.01 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.381 0.672 . . . . 0.0 111.251 174.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.47 -46.76 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-N 118.74 0.7 . . . . 0.0 110.971 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.5 tp -57.24 -45.66 83.7 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.894 1.278 . . . . 0.0 111.776 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -80.27 -33.23 37.97 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -62.13 -39.89 94.09 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.655 1.116 . . . . 0.0 111.98 170.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.8 m -82.8 -11.97 57.84 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.678 1.191 . . . . 0.0 112.462 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.2 t30 50.62 40.01 22.82 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.867 1.667 . . . . 0.0 113.412 -172.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.4 p -103.74 173.94 6.09 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.257 1.423 . . . . 0.0 112.607 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.0 t -107.05 157.06 18.12 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.39 1.076 . . . . 0.0 110.996 168.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -66.35 -34.0 76.99 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 120.428 -1.42 . . . . 0.0 113.645 -168.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -68.44 -43.77 76.37 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.501 -0.749 . . . . 0.0 111.293 174.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -59.38 -41.25 88.91 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.355 1.062 . . . . 0.0 111.52 172.474 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -66.15 -41.35 90.51 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.667 -0.646 . . . . 0.0 111.707 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.62 -45.96 92.07 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.313 0.961 . . . . 0.0 111.622 173.39 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -63.96 -37.3 86.9 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.81 92.53 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.492 0.717 . . . . 0.0 112.146 174.511 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 68.6 mmm -63.81 -44.25 93.84 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.485 0.714 . . . . 0.0 111.411 174.81 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.45 -41.52 97.34 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.868 0.758 . . . . 0.0 111.987 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 t -67.57 -32.24 72.86 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.4 p -102.05 7.06 41.3 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -175.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.8 19.34 75.71 Favored Glycine 0 CA--C 1.537 1.413 0 O-C-N 121.25 -0.906 . . . . 0.0 114.547 176.362 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.11 3.4 82.6 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.806 1.193 . . . . 0.0 115.498 175.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -78.33 106.94 10.59 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.105 1.453 . . . . 0.0 110.53 175.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.48 -42.09 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 123.607 0.763 . . . . 0.0 111.556 -177.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -60.37 -40.09 89.57 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.0 mt -73.71 -38.03 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.285 0.634 . . . . 0.0 110.021 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.75 -52.12 65.52 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.478 -0.764 . . . . 0.0 111.486 177.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 pt -66.9 -36.02 76.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 121.573 -0.704 . . . . 0.0 111.111 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.58 76.94 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.343 0.974 . . . . 0.0 112.967 173.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -67.28 -29.66 69.32 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.652 0.781 . . . . 0.0 112.507 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.7 mp -75.27 -38.32 60.49 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 172.01 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.7 mt . . . . . 0 N--CA 1.471 0.594 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 179.878 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.472 0.668 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -71.36 -39.99 70.92 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.672 -0.643 . . . . 0.0 112.304 175.351 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -58.95 -49.35 78.19 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.624 0.769 . . . . 0.0 111.355 174.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.2 mm -65.69 -45.33 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.204 1.002 . . . . 0.0 110.377 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 60.8 tp -58.63 -47.94 82.67 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.466 1.03 . . . . 0.0 111.871 175.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -59.43 -53.91 52.7 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.717 0.689 . . . . 0.0 110.675 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.5 ttt85 -65.66 -34.69 78.79 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.141 -0.974 . . . . 0.0 112.701 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 32.8 tp -69.32 -38.33 78.18 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.591 1.087 . . . . 0.0 111.807 176.524 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -64.91 -45.34 86.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.743 0.817 . . . . 0.0 111.021 176.385 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -68.73 -42.6 77.39 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 118.939 0.791 . . . . 0.0 111.619 177.205 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 31.0 ttt85 -57.41 -47.97 80.35 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.038 0.935 . . . . 0.0 112.574 177.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.7 t -90.37 -33.93 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -173.484 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -169.841 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 . . . . . 0 CA--C 1.543 0.685 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.7 t -71.87 -42.83 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.708 0.803 . . . . 0.0 111.305 176.517 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.61 -47.18 85.21 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.613 0.765 . . . . 0.0 112.107 174.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -65.58 -40.84 93.2 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.516 0.727 . . . . 0.0 112.209 175.243 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.67 -41.07 96.34 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.03 0.832 . . . . 0.0 111.907 177.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.3 mt -62.14 -47.59 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.843 0.857 . . . . 0.0 110.73 173.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -62.21 -40.6 96.63 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.412 1.006 . . . . 0.0 112.786 177.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -63.35 -44.33 95.13 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.511 -0.743 . . . . 0.0 111.948 175.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.1 mt -63.14 -46.02 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.063 0.545 . . . . 0.0 111.247 174.675 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.4 tp -55.56 -45.11 77.34 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.865 1.266 . . . . 0.0 111.743 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -72.03 -44.77 62.85 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.595 0.758 . . . . 0.0 112.902 175.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -59.32 -38.83 81.28 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.033 0.933 . . . . 0.0 112.904 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.7 p -83.49 -4.69 58.75 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.8 t30 54.18 37.17 26.61 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 124.439 1.096 . . . . 0.0 112.646 -176.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 84.9 p -113.09 174.57 5.84 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.313 1.045 . . . . 0.0 113.448 -170.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.1 t -107.95 153.05 23.63 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.983 0.913 . . . . 0.0 110.193 167.555 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -61.89 -28.05 69.23 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.831 -1.168 . . . . 0.0 113.069 -169.671 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -64.34 -38.39 90.86 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.442 -0.786 . . . . 0.0 112.347 173.204 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -67.49 -42.45 82.91 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.777 -0.577 . . . . 0.0 110.877 175.411 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -65.07 -41.88 94.67 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.802 0.441 . . . . 0.0 111.432 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.53 -47.87 81.99 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.456 -0.777 . . . . 0.0 111.973 173.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -61.64 -41.53 97.63 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 122.88 0.472 . . . . 0.0 111.981 179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.58 -47.17 79.69 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.905 0.482 . . . . 0.0 112.028 174.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 68.5 mmm -63.61 -34.09 77.06 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.05 0.841 . . . . 0.0 112.708 177.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -66.55 -40.9 89.27 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.152 -0.968 . . . . 0.0 111.472 170.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.4 t -69.02 -29.59 67.8 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.9 p -96.49 -2.79 44.51 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.71 30.8 65.73 Favored Glycine 0 CA--C 1.539 1.538 0 O-C-N 121.417 -0.802 . . . . 0.0 113.737 -177.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.61 10.91 80.84 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.42 1.01 . . . . 0.0 114.821 -178.086 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -77.11 90.23 3.64 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 118.972 1.386 . . . . 0.0 109.914 176.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.0 p -56.88 -37.55 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.636 0.774 . . . . 0.0 112.892 -175.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.6 ptt-85 -61.06 -41.45 96.64 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 175.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.3 mt -73.58 -37.06 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.164 0.586 . . . . 0.0 109.804 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.6 -46.27 79.99 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.337 -0.852 . . . . 0.0 111.632 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 pt -68.59 -36.08 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.619 -0.676 . . . . 0.0 111.411 175.75 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.01 -45.62 90.22 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.843 0.747 . . . . 0.0 112.424 171.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -64.31 -44.72 90.73 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 121.457 -0.777 . . . . 0.0 112.215 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.2 -37.15 81.94 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.402 0.681 . . . . 0.0 112.545 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.0 mt . . . . . 0 CA--C 1.541 0.606 0 CA-C-N 118.607 0.64 . . . . 0.0 112.209 175.502 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . 0.259 2.8 pp0? -72.34 -29.65 64.01 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 118.769 -0.634 . . . . 0.0 112.648 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -66.14 -48.82 69.55 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.857 1.208 . . . . 0.0 111.808 173.652 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 31.8 mm -61.08 -47.57 92.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 118.371 0.532 . . . . 0.0 110.17 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.29 -43.99 95.77 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.772 0.714 . . . . 0.0 112.364 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -63.05 -49.64 73.77 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.242 0.928 . . . . 0.0 111.359 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -65.46 -35.38 80.74 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.558 1.072 . . . . 0.0 112.529 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.4 tp -66.18 -39.52 89.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.326 0.65 . . . . 0.0 111.96 174.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.6 ttt85 -68.93 -42.4 76.82 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.155 0.582 . . . . 0.0 111.556 176.42 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -61.26 -49.77 75.72 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.602 0.637 . . . . 0.0 111.907 176.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -68.4 -36.66 79.43 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 69.0 t -76.59 -51.87 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 118.812 0.733 . . . . 0.0 111.869 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 61.1 m . . . . . 0 N--CA 1.472 0.67 0 CA-C-N 119.034 0.834 . . . . 0.0 112.149 -178.776 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 . . . . . 0 N--CA 1.473 0.691 0 N-CA-C 111.184 0.068 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.4 t -66.08 -42.02 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.234 0.614 . . . . 0.0 110.567 171.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.31 -43.66 94.02 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.639 0.776 . . . . 0.0 112.345 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.78 -41.16 97.36 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.996 0.918 . . . . 0.0 112.201 173.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.54 -43.36 97.32 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.62 0.645 . . . . 0.0 111.361 175.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.4 mt -59.19 -44.72 92.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.619 0.767 . . . . 0.0 111.215 173.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -63.98 -39.07 93.3 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.599 0.76 . . . . 0.0 112.193 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.83 -41.63 95.6 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.695 0.798 . . . . 0.0 112.237 174.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.71 -44.47 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.071 0.851 . . . . 0.0 110.666 173.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.7 tp -56.93 -43.71 81.75 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.131 0.972 . . . . 0.0 111.818 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 -70.56 -46.89 62.67 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.586 0.755 . . . . 0.0 112.555 174.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -61.03 -39.55 90.19 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.007 0.923 . . . . 0.0 112.981 -177.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.2 p -81.48 -4.15 55.07 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 176.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.3 t30 52.81 55.32 9.16 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.506 1.522 . . . . 0.0 111.928 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.7 m -124.82 165.4 18.08 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.993 0.917 . . . . 0.0 112.985 -171.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.2 p -89.5 159.32 17.3 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.517 0.727 . . . . 0.0 111.288 169.346 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.61 -30.79 71.56 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.717 -1.239 . . . . 0.0 112.33 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -68.1 -40.02 82.71 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.351 0.66 . . . . 0.0 111.529 172.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -63.11 -39.53 94.95 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.619 0.645 . . . . 0.0 111.723 172.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.45 -40.76 80.96 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.4 -0.812 . . . . 0.0 111.612 177.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.5 -47.45 85.46 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.462 -0.774 . . . . 0.0 111.745 171.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.66 -40.2 96.23 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 178.198 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.3 -42.33 88.48 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.452 0.701 . . . . 0.0 111.96 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.6 mmm -66.5 -39.95 88.96 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.238 -0.914 . . . . 0.0 111.927 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.72 -38.86 90.32 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.202 0.601 . . . . 0.0 111.784 175.431 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 m -73.87 -23.47 59.6 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.799 1.036 . . . . 0.0 113.799 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.7 p -106.2 1.83 26.41 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -176.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.55 27.12 71.76 Favored Glycine 0 CA--C 1.534 1.242 0 O-C-N 121.577 -0.702 . . . . 0.0 113.158 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.57 9.22 86.69 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 115.874 1.109 . . . . 0.0 115.874 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.8 mtt85 -74.7 99.7 3.77 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.031 1.915 . . . . 0.0 110.37 174.561 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.61 -34.34 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 CA-C-O 118.747 -0.644 . . . . 0.0 112.441 -176.433 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -62.22 -43.55 98.58 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 119.52 1.055 . . . . 0.0 113.699 175.559 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.6 mt -75.32 -35.02 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.009 0.524 . . . . 0.0 109.773 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.91 -46.97 82.45 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.303 -0.873 . . . . 0.0 111.476 175.674 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.0 pt -67.99 -35.51 72.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 119.871 1.214 . . . . 0.0 111.797 175.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.24 -44.45 88.31 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.586 1.085 . . . . 0.0 112.514 170.229 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -64.97 -44.25 89.98 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.494 1.117 . . . . 0.0 111.711 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 64.0 mt -66.85 -32.7 74.14 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.9 0.88 . . . . 0.0 112.904 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.9 mt . . . . . 0 N--CA 1.472 0.632 0 CA-C-N 119.348 0.976 . . . . 0.0 111.919 173.448 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.5 p . . . . . 0 N--CA 1.468 0.469 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -71.07 -41.78 70.24 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -171.136 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -68.6 -42.21 78.49 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.896 0.771 . . . . 0.0 111.766 178.207 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.1 mm -67.21 -44.31 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.302 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.22 -43.7 98.45 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.112 1.324 . . . . 0.0 111.419 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -58.21 -55.92 28.7 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.426 0.557 . . . . 0.0 110.976 176.578 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -66.82 -36.21 81.83 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.21 0.913 . . . . 0.0 112.221 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.4 -49.08 68.0 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.394 0.997 . . . . 0.0 111.625 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -65.19 -37.18 86.51 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.974 0.51 . . . . 0.0 111.381 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -66.49 -45.11 80.71 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.153 0.433 . . . . 0.0 112.125 172.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -59.91 -42.35 93.7 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.249 1.02 . . . . 0.0 112.603 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.6 t -90.04 -37.33 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -175.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -168.934 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 111.469 0.174 . . . . 0.0 111.469 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.4 t -70.09 -43.58 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.128 0.971 . . . . 0.0 110.936 176.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.92 -46.27 91.32 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.709 0.804 . . . . 0.0 112.343 175.4 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.93 -41.91 97.5 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.309 1.044 . . . . 0.0 111.672 176.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.33 99.08 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.663 0.665 . . . . 0.0 111.845 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.1 mt -59.47 -48.8 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.303 0.641 . . . . 0.0 110.915 174.006 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.19 -39.59 94.32 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.136 0.88 . . . . 0.0 112.844 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -63.44 -43.14 98.25 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.507 -0.746 . . . . 0.0 111.753 175.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.7 mt -63.14 -47.09 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.465 0.706 . . . . 0.0 110.829 173.73 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.7 tp -59.78 -39.96 86.66 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.347 1.059 . . . . 0.0 111.799 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -71.03 -47.4 58.8 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.282 1.033 . . . . 0.0 112.544 173.358 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.76 -41.07 94.74 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.127 0.971 . . . . 0.0 112.972 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.5 p -81.61 -8.91 59.77 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.993 1.108 . . . . 0.0 113.993 176.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.279 0.8 OUTLIER 48.64 32.24 3.41 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.18 1.792 . . . . 0.0 113.918 -171.759 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 87.2 p -96.31 -178.34 4.27 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.926 1.29 . . . . 0.0 112.96 -174.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.3 p -103.26 151.09 23.08 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.794 0.838 . . . . 0.0 109.632 168.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -62.5 -31.39 72.14 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.234 -0.916 . . . . 0.0 112.381 -177.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -67.84 -36.07 79.7 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.304 -0.873 . . . . 0.0 113.079 172.513 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -69.58 -38.92 77.55 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.076 0.853 . . . . 0.0 111.538 172.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -63.2 -43.03 99.29 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.824 -0.548 . . . . 0.0 111.243 173.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.02 -45.22 93.35 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.118 -0.989 . . . . 0.0 111.843 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.14 -40.56 96.35 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.153 0.581 . . . . 0.0 112.352 177.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.78 -43.29 84.33 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.73 -0.606 . . . . 0.0 111.878 174.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.4 mmm -62.14 -37.58 85.73 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.027 0.83 . . . . 0.0 112.305 174.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -65.0 -39.79 93.97 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.008 -1.058 . . . . 0.0 111.653 171.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.5 t -64.4 -31.73 73.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.14 0.976 . . . . 0.0 113.565 175.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.7 p -99.83 -0.34 39.95 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -177.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.37 29.41 66.19 Favored Glycine 0 CA--C 1.537 1.463 0 O-C-N 121.457 -0.777 . . . . 0.0 113.537 -176.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.1 10.96 70.64 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.814 1.197 . . . . 0.0 115.163 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.8 mmt-85 -81.29 99.39 8.61 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 119.271 1.536 . . . . 0.0 110.54 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.5 t -54.34 -45.06 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.535 1.134 . . . . 0.0 111.786 -178.129 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.1 ptm85 -60.06 -40.54 89.84 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.6 mt -75.71 -36.02 32.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 122.93 0.492 . . . . 0.0 109.933 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.73 -46.7 77.91 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.264 -0.898 . . . . 0.0 111.56 178.135 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.7 pt -67.48 -35.41 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 118.538 -0.744 . . . . 0.0 111.143 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.47 -45.36 91.85 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.354 0.979 . . . . 0.0 112.982 171.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -68.15 -31.71 71.48 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.2 -44.38 75.96 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.412 0.685 . . . . 0.0 111.883 170.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 179.433 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.4 p . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -70.16 -36.98 75.09 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.342 0.657 . . . . 0.0 112.566 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -77.27 -34.75 55.62 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.464 -0.773 . . . . 0.0 111.943 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.6 mm -59.39 -48.19 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.747 0.819 . . . . 0.0 109.47 169.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.4 tp -60.98 -45.27 95.46 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.579 0.627 . . . . 0.0 112.05 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -58.55 -50.42 73.84 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.032 0.833 . . . . 0.0 112.101 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 51.0 ttm-85 -71.87 -32.07 67.1 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 121.299 -0.876 . . . . 0.0 112.868 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.5 tp -66.66 -38.93 87.87 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.508 0.594 . . . . 0.0 111.534 171.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.0 ttp85 -68.45 -39.3 81.54 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.267 1.027 . . . . 0.0 111.371 176.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -61.06 -50.79 71.88 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.277 0.944 . . . . 0.0 111.142 171.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -63.1 -37.29 86.61 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 70.0 t -88.4 -44.83 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.608 0.763 . . . . 0.0 112.895 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.471 0.593 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -169.101 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.2 t -71.53 -41.17 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 O-C-N 121.579 -0.7 . . . . 0.0 111.251 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.46 -43.37 98.98 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.165 0.986 . . . . 0.0 112.765 174.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -65.97 -40.19 91.04 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.244 1.018 . . . . 0.0 112.078 173.586 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.65 -38.7 91.9 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.798 -0.564 . . . . 0.0 111.452 176.388 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.0 mt -59.06 -49.06 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.71 0.804 . . . . 0.0 110.852 170.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.64 -39.42 93.78 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.502 1.046 . . . . 0.0 112.699 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -64.52 -44.92 89.35 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.697 0.799 . . . . 0.0 112.259 175.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.4 mt -60.63 -48.34 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 123.014 0.525 . . . . 0.0 110.125 173.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.83 -37.0 82.81 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.239 1.015 . . . . 0.0 112.533 -177.768 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -66.0 -43.15 88.57 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.809 0.844 . . . . 0.0 111.961 170.41 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -68.37 -39.94 81.6 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.6 p -74.8 -18.78 60.41 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.013 -1.054 . . . . 0.0 113.622 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 53.18 26.79 5.31 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.962 1.305 . . . . 0.0 113.922 -172.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.6 p -98.68 178.76 4.89 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.934 1.293 . . . . 0.0 111.947 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.1 p -87.65 160.99 17.93 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.505 -0.747 . . . . 0.0 110.482 168.058 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -65.88 -34.32 77.85 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.052 -1.03 . . . . 0.0 111.902 176.402 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -68.51 -35.87 78.09 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.36 -0.837 . . . . 0.0 112.747 172.064 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -64.93 -39.17 93.1 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.132 0.878 . . . . 0.0 111.46 170.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -66.28 -43.44 86.4 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.714 -0.616 . . . . 0.0 111.689 175.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.37 -45.05 96.02 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.852 0.751 . . . . 0.0 111.562 174.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -61.24 -41.5 97.0 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.331 0.653 . . . . 0.0 112.245 175.059 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.51 96.76 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.213 0.605 . . . . 0.0 112.116 176.249 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 60.1 mtp -64.4 -42.6 96.0 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.627 1.103 . . . . 0.0 111.924 173.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -64.5 -41.19 96.58 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.187 0.903 . . . . 0.0 112.701 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.4 m -75.79 -23.46 55.88 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.1 p -96.61 2.64 52.45 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.92 19.99 56.57 Favored Glycine 0 N--CA 1.476 1.321 0 O-C-N 121.5 -0.75 . . . . 0.0 114.235 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.62 -1.38 78.68 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.639 1.114 . . . . 0.0 115.622 175.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -76.36 115.29 15.96 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.577 1.689 . . . . 0.0 111.434 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.49 -37.72 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 O-C-N 121.778 -0.576 . . . . 0.0 111.909 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -62.09 -42.96 99.74 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.7 mm -75.2 -35.44 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 122.857 0.463 . . . . 0.0 109.972 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.32 -48.91 73.8 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.705 -0.622 . . . . 0.0 111.891 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.9 pt -67.03 -37.22 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.43 -0.794 . . . . 0.0 111.197 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.2 -46.25 86.16 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.303 0.956 . . . . 0.0 112.355 172.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -65.83 -38.29 88.51 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 121.187 -0.945 . . . . 0.0 112.81 177.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.4 mt -68.83 -34.56 75.7 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 176.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.2 mt . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -179.192 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -71.2 -37.18 72.11 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.562 0.619 . . . . 0.0 112.277 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -66.35 -47.59 72.95 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 118.636 0.653 . . . . 0.0 111.865 175.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.5 mm -60.02 -45.65 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.716 0.806 . . . . 0.0 110.296 174.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.24 -46.41 89.89 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.529 1.058 . . . . 0.0 112.182 176.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.89 -52.59 64.76 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.875 0.761 . . . . 0.0 111.216 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -67.55 -34.6 77.41 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 118.715 -0.659 . . . . 0.0 112.685 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.9 tp -68.9 -42.52 76.77 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.657 1.117 . . . . 0.0 111.413 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -65.65 -43.01 90.75 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.903 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -65.76 -45.0 84.18 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 176.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 57.8 mtp85 -57.03 -42.74 81.02 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.657 0.783 . . . . 0.0 112.491 174.467 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.4 t -82.28 -36.73 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.749 0.82 . . . . 0.0 112.279 -175.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 CA--C 1.54 0.568 0 CA-C-N 119.24 0.927 . . . . 0.0 111.906 178.824 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.1 t -66.11 -40.63 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.327 0.651 . . . . 0.0 110.737 170.294 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.32 -40.89 90.22 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.179 -0.95 . . . . 0.0 113.361 173.715 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -60.89 -38.88 87.2 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.379 -0.826 . . . . 0.0 111.644 170.492 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.79 94.37 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.173 0.897 . . . . 0.0 111.356 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.3 mt -56.81 -47.62 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 118.485 0.584 . . . . 0.0 111.113 169.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -65.87 -36.06 82.38 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.692 1.133 . . . . 0.0 113.579 176.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -63.68 -44.43 93.76 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.312 -0.867 . . . . 0.0 111.043 175.016 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.6 mt -62.58 -44.79 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.261 0.624 . . . . 0.0 111.033 172.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.1 tp -58.35 -42.17 86.29 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.802 0.841 . . . . 0.0 111.903 178.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.2 tpt85 -73.31 -38.06 65.98 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.043 0.937 . . . . 0.0 113.209 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -68.94 -39.96 79.27 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.858 0.863 . . . . 0.0 112.426 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.4 p -76.37 -14.88 60.06 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 172.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.3 t30 51.02 40.38 25.36 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.805 1.642 . . . . 0.0 112.723 -176.066 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 t -121.7 -174.64 2.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.225 1.01 . . . . 0.0 112.94 -171.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.1 t -99.23 150.86 21.65 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.739 1.216 . . . . 0.0 111.975 176.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.79 -33.14 73.58 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.244 1.018 . . . . 0.0 111.974 -173.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -63.58 -41.36 98.37 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.27 0.628 . . . . 0.0 111.593 175.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -70.8 -37.11 73.25 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.365 0.666 . . . . 0.0 111.733 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -63.24 -44.53 94.96 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.714 -0.616 . . . . 0.0 111.585 170.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.6 -45.11 95.48 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.874 0.761 . . . . 0.0 111.896 175.078 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -64.46 -37.46 87.6 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.54 -37.03 79.61 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.528 -0.733 . . . . 0.0 112.192 173.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.6 mmm -66.5 -43.11 86.21 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.175 -0.953 . . . . 0.0 111.748 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -66.01 -37.14 85.16 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.613 1.097 . . . . 0.0 112.118 174.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -63.63 -29.63 70.85 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.628 1.171 . . . . 0.0 113.3 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.6 p -105.24 -0.35 26.46 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -175.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.17 27.99 67.19 Favored Glycine 0 CA--C 1.536 1.401 0 O-C-N 121.515 -0.741 . . . . 0.0 113.745 -178.32 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.18 17.05 65.66 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.348 0.975 . . . . 0.0 114.865 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -83.17 94.44 7.86 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.271 1.535 . . . . 0.0 109.727 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.0 t -51.25 -44.57 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 124.22 1.008 . . . . 0.0 111.614 -176.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -59.95 -41.99 93.09 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.4 mt -75.3 -37.3 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.243 0.617 . . . . 0.0 109.71 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.48 -48.68 76.65 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.132 -0.98 . . . . 0.0 111.394 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.2 pt -68.44 -34.61 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 O-C-N 121.392 -0.817 . . . . 0.0 111.276 177.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.91 94.79 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 119.228 0.922 . . . . 0.0 112.604 170.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -65.65 -41.19 92.87 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.39 -0.819 . . . . 0.0 112.292 175.376 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.85 -45.53 94.14 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.385 0.993 . . . . 0.0 112.115 173.302 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 CA--C 1.542 0.65 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.869 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.3 p . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -71.04 -34.48 71.3 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -177.522 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -75.47 -38.74 59.42 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.856 -1.152 . . . . 0.0 112.472 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.9 mm -60.31 -46.23 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 118.495 0.589 . . . . 0.0 109.451 169.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.69 -50.61 73.19 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.954 0.797 . . . . 0.0 112.499 175.021 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -61.68 -47.5 85.04 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.493 1.042 . . . . 0.0 111.5 -176.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.2 ttt-85 -68.99 -34.16 74.84 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 118.387 -0.816 . . . . 0.0 112.18 178.194 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.4 tp -67.16 -40.79 86.71 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.407 1.003 . . . . 0.0 111.847 173.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 36.8 ttt-85 -69.7 -40.68 76.18 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.776 0.83 . . . . 0.0 110.96 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -62.35 -53.14 59.4 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.961 0.504 . . . . 0.0 111.917 170.123 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -59.68 -32.97 70.98 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.878 1.271 . . . . 0.0 113.006 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 79.8 t -85.62 -38.49 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.149 0.979 . . . . 0.0 113.145 175.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.3 m . . . . . 0 N--CA 1.477 0.921 0 CA-C-N 119.19 0.904 . . . . 0.0 112.786 -178.114 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.4 m . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.0 m -133.3 157.65 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 125.702 1.601 . . . . 0.0 111.873 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 m -67.25 149.73 50.01 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.201 1.001 . . . . 0.0 113.058 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.98 157.52 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.123 0.969 . . . . 0.0 112.475 175.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.4 mt -74.57 141.97 44.73 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.374 0.67 . . . . 0.0 111.362 173.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -145.5 99.12 3.24 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.096 1.358 . . . . 0.0 111.003 -176.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.5 m -73.96 147.81 42.71 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.116 0.966 . . . . 0.0 111.581 175.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 87.7 p -82.37 165.18 20.53 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.571 1.148 . . . . 0.0 113.145 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.7 p -130.96 23.51 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 125.204 1.402 . . . . 0.0 112.459 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -63.78 -20.72 65.99 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.274 -1.516 . . . . 0.0 114.436 -169.593 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -61.37 -28.89 69.56 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.586 -1.321 . . . . 0.0 113.279 170.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -71.25 -35.91 71.59 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 119.578 1.081 . . . . 0.0 112.511 171.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -69.37 -38.16 77.91 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 122.971 0.508 . . . . 0.0 111.15 176.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.8 t -67.73 -41.04 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 121.516 -0.74 . . . . 0.0 111.575 171.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.26 -41.75 97.46 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.512 -0.743 . . . . 0.0 112.298 172.477 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.41 -40.99 98.33 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.188 -0.945 . . . . 0.0 111.97 172.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.22 -41.68 94.18 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 121.704 -0.623 . . . . 0.0 111.738 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.5 mt -57.97 -48.14 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.877 0.871 . . . . 0.0 110.596 170.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.7 -40.97 89.67 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.492 0.717 . . . . 0.0 112.14 178.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -66.42 -31.46 72.23 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 173.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.4 mt -66.05 -40.96 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 119.627 1.103 . . . . 0.0 111.203 169.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.13 -44.41 94.95 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 120.128 1.331 . . . . 0.0 111.19 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -61.4 -45.16 95.51 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.541 1.536 . . . . 0.0 112.373 176.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -68.12 -40.33 82.55 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.316 1.046 . . . . 0.0 113.033 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.3 p -91.22 -2.31 57.51 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.0 t30 52.86 53.99 11.21 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.47 1.508 . . . . 0.0 112.083 -175.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.4 p -136.4 178.3 7.17 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.435 1.094 . . . . 0.0 113.772 -169.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.2 p -101.85 162.06 13.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.534 1.134 . . . . 0.0 111.455 169.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -61.92 -31.25 71.55 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 120.901 -1.125 . . . . 0.0 112.304 171.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -63.99 -45.78 87.51 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.19 0.905 . . . . 0.0 111.058 173.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -64.36 -39.17 93.34 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.085 0.554 . . . . 0.0 111.747 176.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -69.12 -38.56 78.94 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.708 -0.62 . . . . 0.0 112.378 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.83 -45.05 95.48 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.439 1.018 . . . . 0.0 110.958 173.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.66 -39.51 94.52 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 175.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.19 -41.21 94.8 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.795 -0.566 . . . . 0.0 112.06 174.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 66.9 mmm -65.35 -42.35 92.94 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.41 -0.807 . . . . 0.0 111.985 174.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -63.64 -39.22 93.81 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.359 0.664 . . . . 0.0 111.623 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 t -71.01 -29.5 65.47 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.178 0.991 . . . . 0.0 113.462 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.9 p -104.88 6.14 33.51 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -174.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.57 23.39 70.36 Favored Glycine 0 CA--C 1.537 1.439 0 O-C-N 121.28 -0.888 . . . . 0.0 114.711 176.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.13 7.14 87.36 Favored Glycine 0 CA--C 1.534 1.277 0 N-CA-C 115.769 1.067 . . . . 0.0 115.769 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -78.15 102.13 7.39 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.106 1.453 . . . . 0.0 110.186 174.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.6 t -52.63 -41.91 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.755 0.822 . . . . 0.0 111.872 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -60.88 -42.13 97.33 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 41.2 mt -74.53 -38.04 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.138 0.575 . . . . 0.0 109.524 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.12 -50.14 73.1 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.43 0.692 . . . . 0.0 111.448 177.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.7 pt -68.25 -34.84 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.518 -0.739 . . . . 0.0 111.407 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.56 -48.24 82.67 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.05 0.841 . . . . 0.0 112.909 172.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -68.05 -37.04 80.87 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.235 -0.916 . . . . 0.0 112.092 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.0 tp -68.69 -29.59 68.07 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.396 1.079 . . . . 0.0 112.692 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.0 mt -76.74 -51.51 11.31 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.082 0.953 . . . . 0.0 112.063 169.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.7 m -85.23 14.82 4.78 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 -170.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -58.6 -24.49 61.05 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.573 1.549 . . . . 0.0 114.934 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -143.09 134.01 25.49 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.686 1.595 . . . . 0.0 110.026 172.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.2 p -144.52 165.47 27.9 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.8 1.24 . . . . 0.0 112.977 -175.39 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.7 m -66.31 -22.64 66.29 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.684 1.594 . . . . 0.0 114.7 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.97 -173.07 45.69 Favored Glycine 0 CA--C 1.54 1.633 0 C-N-CA 124.595 1.093 . . . . 0.0 114.487 -176.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 174.68 171.41 38.83 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.594 1.092 . . . . 0.0 113.551 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.8 m -75.8 -18.39 59.52 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -175.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 173.31 177.61 42.68 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.031 1.301 . . . . 0.0 113.537 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -73.15 159.77 53.62 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 124.24 0.924 . . . . 0.0 113.955 176.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.9 p -79.7 157.67 27.14 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.848 1.259 . . . . 0.0 113.127 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -71.8 133.54 45.59 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.351 1.06 . . . . 0.0 110.908 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.8 mt -134.23 155.03 50.87 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.987 1.715 . . . . 0.0 111.419 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 174.1 175.27 41.6 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.804 1.192 . . . . 0.0 113.324 178.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.42 170.64 40.02 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.422 1.011 . . . . 0.0 113.885 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.0 m -72.27 153.58 41.47 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.64 1.176 . . . . 0.0 112.972 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.78 163.13 52.17 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.079 0.847 . . . . 0.0 113.842 173.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.11 -167.43 38.14 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.361 0.981 . . . . 0.0 113.903 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.9 p -77.51 175.16 10.09 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.059 1.343 . . . . 0.0 112.933 177.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.3 mtp-105 -67.1 -19.76 65.69 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 114.457 1.281 . . . . 0.0 114.457 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . 0.332 0.0 OUTLIER 46.11 35.43 2.54 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 127.528 2.331 . . . . 0.0 114.995 -174.589 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -86.23 -12.38 49.83 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.272 1.429 . . . . 0.0 114.21 -169.522 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.5 mt 59.97 -178.41 0.09 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 126.87 2.068 . . . . 0.0 114.305 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.7 m -64.61 147.75 52.3 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.846 1.258 . . . . 0.0 113.073 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.9 p -78.0 -24.57 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -177.066 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -73.51 149.64 42.13 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.618 1.167 . . . . 0.0 112.389 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 175.87 -164.88 35.22 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.923 1.249 . . . . 0.0 113.319 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 45.2 tpp -139.54 145.36 38.57 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.136 1.374 . . . . 0.0 111.583 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 mp -84.99 150.13 25.11 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.567 1.147 . . . . 0.0 112.105 -176.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -149.12 165.48 31.65 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.749 1.62 . . . . 0.0 110.958 174.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.8 144.29 56.95 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.793 0.837 . . . . 0.0 112.998 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.9 m -83.05 -8.37 59.55 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -174.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . 0.294 1.5 p30 55.8 -25.6 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 129.9 3.28 . . . . 0.0 117.694 -173.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.5 p -50.36 -42.7 53.56 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.534 1.934 . . . . 0.0 113.009 173.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -70.67 -34.82 72.42 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.421 0.688 . . . . 0.0 112.566 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -68.85 -44.35 73.56 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.501 -0.749 . . . . 0.0 111.439 175.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.75 -49.23 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.118 0.567 . . . . 0.0 109.58 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.16 -42.25 94.53 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.825 0.739 . . . . 0.0 112.599 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -60.81 -50.34 73.82 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.46 1.027 . . . . 0.0 111.761 175.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -68.04 -34.4 76.39 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.903 0.774 . . . . 0.0 112.434 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 69.1 tp -66.97 -45.25 78.28 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.128 0.971 . . . . 0.0 112.022 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.1 ttm-85 -69.84 -37.49 76.17 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-O 118.423 -0.799 . . . . 0.0 111.206 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -69.74 -40.02 76.42 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.604 1.093 . . . . 0.0 112.108 174.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -60.66 -40.52 92.36 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-N 119.305 0.957 . . . . 0.0 112.597 172.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.5 t -79.91 -45.25 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.0 t -79.64 -34.09 40.78 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.342 0.657 . . . . 0.0 112.481 -172.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -150.55 27.17 1.07 Allowed Glycine 0 CA--C 1.534 1.261 0 N-CA-C 115.351 0.9 . . . . 0.0 115.351 -173.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.1 m 54.67 21.37 3.43 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 175.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.5 m 54.66 27.47 8.69 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 122.217 1.008 . . . . 0.0 112.845 -170.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.11 157.55 35.81 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.13 -1.606 . . . . 0.0 112.883 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.2 pm0 -73.34 -15.89 61.37 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -177.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.3 t -150.88 152.19 33.31 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.569 1.547 . . . . 0.0 110.885 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.238 0 C-N-CA 125.891 1.676 . . . . 0.0 111.925 179.738 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.6 m -90.85 -12.82 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 m -67.52 149.86 49.6 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.534 1.134 . . . . 0.0 113.321 -176.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.12 136.68 24.55 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.281 1.033 . . . . 0.0 109.368 177.096 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.2 tp -74.65 -34.55 62.75 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -173.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -78.15 149.76 33.72 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.748 1.219 . . . . 0.0 112.208 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.1 m -87.14 -11.24 50.62 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.7 p -77.75 156.6 30.47 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.241 1.416 . . . . 0.0 113.442 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.8 t -88.35 139.2 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.687 1.195 . . . . 0.0 110.542 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -70.62 122.07 19.07 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.662 0.785 . . . . 0.0 110.711 176.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -64.73 -25.12 67.79 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.028 -1.045 . . . . 0.0 113.64 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -33.46 74.5 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 121.201 -0.937 . . . . 0.0 111.562 170.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -72.51 -33.81 67.16 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.732 0.813 . . . . 0.0 111.567 174.108 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.71 -41.15 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 O-C-N 121.487 -0.758 . . . . 0.0 110.693 169.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -65.62 -36.9 85.05 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.416 -0.802 . . . . 0.0 112.506 172.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -64.33 -40.26 95.54 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.06 -1.025 . . . . 0.0 111.819 172.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.57 -39.97 95.77 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.567 -0.708 . . . . 0.0 111.455 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.5 mt -58.71 -45.96 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.671 0.788 . . . . 0.0 111.044 169.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.58 -36.67 84.44 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.153 0.888 . . . . 0.0 112.438 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -65.59 -44.81 85.48 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.211 -0.931 . . . . 0.0 111.605 173.729 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 36.4 mt -60.81 -44.18 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 121.61 -0.681 . . . . 0.0 111.07 172.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.2 tp -60.16 -41.73 93.43 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.597 1.159 . . . . 0.0 111.989 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -73.85 -40.34 63.34 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.926 0.89 . . . . 0.0 112.854 175.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -62.09 -40.48 95.99 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.212 1.005 . . . . 0.0 112.63 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 77.2 p -80.17 -7.82 59.13 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 173.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.9 t30 50.85 44.53 28.1 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.015 1.726 . . . . 0.0 112.747 -176.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 t -118.34 -175.64 2.91 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -169.7 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.0 t -113.33 144.87 42.02 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.55 1.54 . . . . 0.0 110.088 171.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -66.17 -23.46 66.46 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 120.346 -1.471 . . . . 0.0 113.592 -171.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -65.1 -32.31 73.94 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 120.153 1.342 . . . . 0.0 112.852 169.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -73.1 -34.79 66.39 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.279 -0.888 . . . . 0.0 111.855 170.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -64.74 -37.55 87.99 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.719 0.69 . . . . 0.0 111.393 171.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.26 -47.71 83.14 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.023 -1.048 . . . . 0.0 111.754 170.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.99 -39.46 94.79 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.74 -43.65 79.43 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.726 0.81 . . . . 0.0 112.039 175.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.2 mmm -65.34 -41.51 93.83 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.137 -0.977 . . . . 0.0 111.65 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -71.51 -29.92 65.35 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.248 -0.907 . . . . 0.0 111.933 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.7 m -73.44 -24.42 60.23 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 172.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.1 p -110.35 4.5 20.78 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 -174.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.89 24.94 70.65 Favored Glycine 0 CA--C 1.533 1.213 0 O-C-N 121.384 -0.822 . . . . 0.0 113.829 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.02 9.55 86.55 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 115.877 1.111 . . . . 0.0 115.877 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.9 mmt-85 -73.99 104.19 4.75 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.104 1.452 . . . . 0.0 110.251 175.633 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.4 p -58.7 -38.03 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-N 118.626 0.648 . . . . 0.0 112.297 -174.206 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -61.73 -42.5 99.05 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 177.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.6 mt -75.04 -35.63 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.001 0.52 . . . . 0.0 109.987 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.35 -45.87 82.46 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.232 -0.917 . . . . 0.0 111.853 176.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.1 pt -68.16 -34.82 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 O-C-N 121.198 -0.939 . . . . 0.0 111.39 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.95 93.22 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.087 0.858 . . . . 0.0 112.539 170.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -67.01 -40.19 87.23 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 121.095 -1.003 . . . . 0.0 112.836 176.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.86 -42.61 99.25 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.152 0.581 . . . . 0.0 111.985 174.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.3 mt -70.2 -32.76 70.81 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.205 0.602 . . . . 0.0 112.602 175.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 72.1 m -64.59 -21.65 66.76 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -85.91 -5.86 59.16 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 174.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -84.62 162.05 19.91 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.174 0.99 . . . . 0.0 111.461 173.212 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 p -71.65 -33.7 69.11 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.5 t 62.29 150.57 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.426 2.29 . . . . 0.0 116.118 -177.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.74 -7.87 74.24 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 124.759 1.171 . . . . 0.0 114.18 169.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.05 168.58 54.8 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 124.879 1.228 . . . . 0.0 115.147 -177.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.1 m -135.56 155.83 49.85 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.1 1.76 . . . . 0.0 111.766 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.57 148.31 49.53 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.02 0.819 . . . . 0.0 113.54 177.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.13 -16.62 79.48 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.288 0.947 . . . . 0.0 115.446 -175.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.4 t 57.23 -173.95 0.08 Allowed 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.985 1.714 . . . . 0.0 114.184 -173.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -70.61 159.34 34.57 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.045 1.338 . . . . 0.0 113.211 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 91.6 mt -122.46 1.38 9.55 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 178.45 -159.78 25.32 Favored Glycine 0 CA--C 1.533 1.181 0 CA-C-N 119.351 0.978 . . . . 0.0 114.878 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.51 -171.94 42.38 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 125.184 1.373 . . . . 0.0 114.332 175.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.4 p -74.9 163.12 27.99 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.88 1.272 . . . . 0.0 113.063 176.606 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.28 -164.15 54.21 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 124.153 0.882 . . . . 0.0 114.053 -177.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.23 17.94 79.02 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.046 0.832 . . . . 0.0 115.029 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 91.3 p -73.75 -7.37 51.85 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -171.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -74.8 -11.51 60.17 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.093 1.357 . . . . 0.0 113.981 -175.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -137.49 160.42 39.18 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.534 1.933 . . . . 0.0 112.07 176.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -150.1 152.23 34.43 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.17 1.388 . . . . 0.0 111.527 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.28 -38.74 71.61 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.264 1.025 . . . . 0.0 112.261 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.8 m -97.34 21.75 9.64 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.307 1.443 . . . . 0.0 113.828 -176.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.9 p -68.41 -26.41 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 121.14 -0.975 . . . . 0.0 113.387 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -75.05 151.49 38.69 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.778 1.231 . . . . 0.0 112.151 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.92 154.67 53.1 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.173 0.892 . . . . 0.0 114.033 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 45.8 tpp -147.42 150.13 34.04 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.344 1.458 . . . . 0.0 111.286 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.1 mt -130.95 156.43 45.1 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.61 1.564 . . . . 0.0 112.053 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -145.06 161.97 38.12 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.894 1.678 . . . . 0.0 111.699 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -148.49 132.79 17.47 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.027 1.331 . . . . 0.0 110.959 174.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.0 t -157.23 172.57 18.39 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.569 1.148 . . . . 0.0 111.945 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.91 26.91 0.19 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.857 2.063 . . . . 0.0 114.353 -177.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.7 m -45.89 -47.95 16.13 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -171.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -71.23 -39.4 71.71 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.14 0.882 . . . . 0.0 113.014 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -70.23 -43.12 71.26 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.062 0.945 . . . . 0.0 111.817 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.3 mm -60.35 -47.51 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.217 1.007 . . . . 0.0 110.09 170.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 45.3 tp -56.56 -46.94 80.44 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 120.04 1.291 . . . . 0.0 111.611 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -57.87 -56.6 19.84 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.6 0.636 . . . . 0.0 111.004 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.6 tpp85 -69.12 -28.17 66.22 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 121.006 -1.059 . . . . 0.0 112.942 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.56 -47.34 70.09 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 120.965 -1.085 . . . . 0.0 111.0 175.583 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -61.47 -40.8 95.83 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 118.876 -0.583 . . . . 0.0 111.535 174.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -61.35 -47.78 84.31 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.239 0.927 . . . . 0.0 112.171 174.738 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -57.87 -46.26 85.13 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.007 0.923 . . . . 0.0 111.748 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.3 t -81.72 -38.38 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 122.999 0.52 . . . . 0.0 112.282 -172.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 69.1 m -74.21 -22.22 59.46 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.668 0.667 . . . . 0.0 112.486 173.395 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.38 10.21 48.59 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.296 1.427 . . . . 0.0 115.381 170.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.8 p -79.21 -0.42 31.95 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.5 p -69.59 -21.45 63.59 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.371 1.069 . . . . 0.0 113.128 169.488 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.77 141.35 53.4 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.008 0.923 . . . . 0.0 112.296 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -89.48 -13.86 36.56 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -175.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 55.8 m -137.78 153.09 49.72 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.437 1.495 . . . . 0.0 112.212 -176.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.019 1.328 . . . . 0.0 112.888 176.004 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.1 m -97.13 -10.74 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -175.331 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -73.42 154.24 40.07 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.712 0.805 . . . . 0.0 112.567 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.8 154.16 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 125.032 1.333 . . . . 0.0 113.111 -177.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.1 mt -90.61 162.24 15.06 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.872 1.269 . . . . 0.0 112.069 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -71.62 -21.98 61.77 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.372 1.069 . . . . 0.0 113.726 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.3 m -135.25 155.13 51.15 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.147 1.779 . . . . 0.0 111.532 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.3 t -143.95 153.76 42.6 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.776 1.23 . . . . 0.0 112.478 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.5 m -117.39 11.41 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.812 1.645 . . . . 0.0 113.309 177.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -46.39 -43.22 16.09 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.774 1.63 . . . . 0.0 114.209 -173.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -70.51 -16.22 62.87 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -173.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.76 -40.71 98.12 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 119.64 1.109 . . . . 0.0 111.86 170.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.04 -32.86 69.72 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.138 0.575 . . . . 0.0 111.574 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.1 t -70.0 -42.95 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 123.258 0.623 . . . . 0.0 111.222 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.65 -43.67 98.42 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.911 0.885 . . . . 0.0 111.573 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -61.26 -42.99 99.58 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.952 0.901 . . . . 0.0 112.283 172.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.03 91.32 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.074 0.852 . . . . 0.0 111.978 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.6 mt -59.46 -47.89 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.701 0.8 . . . . 0.0 110.76 171.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.96 -34.35 77.57 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.822 0.737 . . . . 0.0 112.777 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -64.29 -41.88 96.66 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.095 -1.003 . . . . 0.0 111.988 173.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.4 mt -64.25 -44.0 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 118.718 0.69 . . . . 0.0 111.229 172.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.4 tp -57.6 -43.27 84.54 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.55 1.14 . . . . 0.0 111.654 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 tpp85 -71.44 -46.67 59.44 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.341 1.056 . . . . 0.0 112.404 176.074 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -59.68 -44.18 93.73 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.623 1.169 . . . . 0.0 112.836 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.3 p -83.13 -7.15 59.67 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.5 t30 54.1 59.34 4.29 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.311 1.444 . . . . 0.0 111.554 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.0 m -124.94 158.68 32.99 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -173.201 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.7 p -83.67 160.4 21.34 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.41 0.624 . . . . 0.0 110.024 168.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -66.17 -33.35 75.56 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 120.682 -1.261 . . . . 0.0 112.247 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -67.72 -35.52 78.92 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 118.798 -0.62 . . . . 0.0 112.586 171.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -64.62 -43.84 92.44 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.504 1.047 . . . . 0.0 111.672 172.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.75 -40.83 75.9 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.485 -0.76 . . . . 0.0 111.903 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -59.42 -48.1 82.92 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.72 -0.613 . . . . 0.0 111.059 172.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -61.47 -42.69 99.17 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.59 -36.71 84.71 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.688 -0.632 . . . . 0.0 112.2 175.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.8 mmm -73.32 -38.44 65.8 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.282 -0.886 . . . . 0.0 112.911 176.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -65.27 -40.87 94.49 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.399 1.0 . . . . 0.0 112.131 172.062 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.5 t -67.69 -22.04 65.3 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.174 0.99 . . . . 0.0 113.646 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.9 p -109.93 1.36 19.08 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.08 29.35 72.3 Favored Glycine 0 CA--C 1.537 1.454 0 O-C-N 121.465 -0.772 . . . . 0.0 113.899 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.9 12.73 79.22 Favored Glycine 0 N--CA 1.472 1.041 0 N-CA-C 115.551 0.98 . . . . 0.0 115.551 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -78.08 91.75 4.32 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 119.268 1.534 . . . . 0.0 109.628 175.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.7 t -53.31 -39.56 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.729 0.812 . . . . 0.0 111.907 -175.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.3 ptm85 -61.77 -41.98 98.4 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.474 1.033 . . . . 0.0 113.402 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.3 mt -75.33 -36.27 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 123.138 0.575 . . . . 0.0 109.83 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.72 -49.49 74.87 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.343 -0.848 . . . . 0.0 111.358 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.9 pt -66.55 -35.65 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 119.136 0.88 . . . . 0.0 111.544 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.48 -46.84 83.24 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.413 1.006 . . . . 0.0 112.223 170.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -66.57 -32.72 74.24 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.3 mt -72.06 -27.72 62.87 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 172.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.5 mt -81.04 -35.57 31.65 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.713 0.805 . . . . 0.0 112.704 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 87.1 p -85.06 14.76 4.65 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.202 1.401 . . . . 0.0 114.373 174.127 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -63.35 -20.32 65.41 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 127.797 2.439 . . . . 0.0 114.634 -176.001 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 60.81 45.46 9.84 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.999 1.72 . . . . 0.0 113.981 173.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.1 p -113.45 16.58 18.82 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 126.003 1.721 . . . . 0.0 113.759 -177.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.6 t -141.52 164.28 30.64 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.182 1.393 . . . . 0.0 112.481 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.73 13.45 61.23 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.264 1.411 . . . . 0.0 115.82 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.98 15.1 69.01 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-N 118.245 1.023 . . . . 0.0 114.557 -173.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.5 t -71.47 148.75 46.52 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 118.364 1.082 . . . . 0.0 112.66 -176.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -170.87 152.64 19.03 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.972 1.272 . . . . 0.0 112.725 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.45 174.84 29.31 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 124.467 1.032 . . . . 0.0 114.622 -175.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.8 t -151.09 157.06 42.29 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.145 1.378 . . . . 0.0 112.086 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.52 163.59 34.24 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.089 1.755 . . . . 0.0 112.576 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 91.1 mt -72.84 150.38 42.75 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.253 1.021 . . . . 0.0 112.35 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 174.76 -168.65 41.37 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.54 1.067 . . . . 0.0 113.756 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.09 -167.65 54.88 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.466 1.031 . . . . 0.0 114.489 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.6 p -145.63 161.72 39.18 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.472 1.509 . . . . 0.0 112.767 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -80.02 -168.9 38.29 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 124.974 1.273 . . . . 0.0 114.786 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.99 7.0 81.42 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.694 1.14 . . . . 0.0 115.607 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.6 m -63.6 -17.2 62.63 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 -174.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -83.93 0.22 48.76 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.597 1.559 . . . . 0.0 114.342 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -62.58 159.61 15.54 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.906 1.282 . . . . 0.0 113.63 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -66.88 136.51 55.5 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.125 0.97 . . . . 0.0 112.225 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.6 mt -139.8 147.98 41.54 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.38 1.472 . . . . 0.0 111.695 -177.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.6 m -71.06 -10.39 59.67 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -176.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.3 p -72.16 -14.67 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 125.185 1.394 . . . . 0.0 113.501 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -61.48 153.05 28.33 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.078 1.351 . . . . 0.0 113.662 -178.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 171.66 -172.31 44.54 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.945 1.26 . . . . 0.0 113.185 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 66.3 mtt -71.9 147.86 46.66 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.735 0.814 . . . . 0.0 111.748 175.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.4 mt -134.62 159.88 39.85 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.479 1.511 . . . . 0.0 111.917 -177.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -73.54 163.88 27.42 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.469 1.108 . . . . 0.0 112.896 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -136.55 159.76 40.81 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.972 1.309 . . . . 0.0 111.619 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.0 m 59.21 -12.13 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 127.957 2.503 . . . . 0.0 117.03 -176.06 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -61.28 -34.23 74.85 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 120.616 -1.303 . . . . 0.0 112.53 177.313 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.0 p -54.87 -46.8 74.78 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.158 1.383 . . . . 0.0 112.173 170.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -70.8 -34.03 71.33 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.718 0.807 . . . . 0.0 111.728 177.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.62 -48.25 70.09 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.444 0.698 . . . . 0.0 111.734 177.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 49.9 mm -64.07 -43.65 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 121.601 -0.687 . . . . 0.0 110.544 174.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.42 -43.79 92.99 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 118.92 0.782 . . . . 0.0 111.762 177.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -61.53 -46.02 91.71 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.49 0.716 . . . . 0.0 111.667 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -65.61 -36.97 85.27 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.247 -0.908 . . . . 0.0 112.368 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 22.8 tp -69.93 -39.23 76.25 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.057 0.543 . . . . 0.0 112.129 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -60.05 -44.28 94.78 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.243 0.929 . . . . 0.0 110.988 173.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -63.57 -49.91 71.56 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 122.108 -0.37 . . . . 0.0 111.899 175.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -60.56 -42.67 97.1 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.603 0.761 . . . . 0.0 113.012 -178.282 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.4 t -91.1 -37.22 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.249 0.62 . . . . 0.0 112.638 -172.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.5 m -104.96 -14.86 15.3 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -175.102 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -64.2 -18.85 63.29 Favored Glycine 0 N--CA 1.476 1.354 0 CA-C-N 119.786 1.176 . . . . 0.0 115.01 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.5 m -61.97 -10.41 9.64 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.681 1.592 . . . . 0.0 114.665 178.015 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.3 t -67.88 -23.14 65.09 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.111 0.964 . . . . 0.0 113.095 172.179 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.74 152.52 39.07 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.2 1.0 . . . . 0.0 113.051 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -77.34 -27.45 52.74 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.923 0.889 . . . . 0.0 112.883 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.4 m -67.61 149.24 50.34 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.614 1.166 . . . . 0.0 113.266 -178.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.313 0 C-N-CA 125.999 1.72 . . . . 0.0 112.047 177.955 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.9 m -116.94 -1.14 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -173.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 t -72.96 135.74 45.05 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -171.126 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.7 mm -83.8 -17.75 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.664 1.186 . . . . 0.0 110.724 175.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.3 mt -75.11 -33.36 61.58 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.993 -1.067 . . . . 0.0 111.295 169.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -83.48 -34.28 25.39 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 174.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.5 m -129.94 73.88 1.55 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.824 1.649 . . . . 0.0 110.545 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.1 m -71.82 147.73 46.92 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.913 1.285 . . . . 0.0 112.575 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.1 m -133.68 155.25 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 125.656 1.583 . . . . 0.0 111.501 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -77.69 153.96 32.56 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.827 0.851 . . . . 0.0 111.808 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -52.81 -38.65 61.55 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.04 0.936 . . . . 0.0 112.929 176.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.5 mtm180 -62.64 -30.88 71.69 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -73.27 -40.92 64.21 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.402 0.547 . . . . 0.0 111.602 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.5 t -65.64 -44.42 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.358 0.663 . . . . 0.0 110.76 174.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -63.51 -44.93 92.85 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.784 0.834 . . . . 0.0 111.88 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -63.26 -38.8 92.59 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.995 172.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.22 99.38 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 120.479 1.491 . . . . 0.0 111.925 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.4 mt -60.68 -48.79 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.413 0.685 . . . . 0.0 111.002 173.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.7 -29.59 65.92 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -68.91 -40.6 79.02 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.795 1.238 . . . . 0.0 111.436 170.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.5 mt -62.74 -44.1 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 118.959 0.8 . . . . 0.0 110.571 172.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.5 tp -57.27 -45.5 83.99 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.198 0.999 . . . . 0.0 111.833 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -63.76 -50.1 70.37 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.305 1.042 . . . . 0.0 112.691 173.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -61.67 -43.81 98.15 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.432 1.093 . . . . 0.0 112.729 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.8 p -76.85 -5.19 47.34 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.9 t30 54.18 35.29 22.15 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.366 1.067 . . . . 0.0 112.429 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.1 p -108.86 172.38 6.88 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.461 1.104 . . . . 0.0 113.439 -169.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -104.91 149.48 25.68 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.036 0.934 . . . . 0.0 109.991 168.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.18 -24.76 66.69 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.009 -1.057 . . . . 0.0 113.242 -170.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -60.57 -42.36 96.47 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.613 -0.679 . . . . 0.0 111.642 169.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -75.37 -30.73 60.28 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.667 -0.646 . . . . 0.0 112.436 176.091 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.06 -40.14 94.29 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.459 1.027 . . . . 0.0 111.303 170.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.03 -46.49 87.35 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.048 -1.033 . . . . 0.0 111.577 171.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.19 -40.71 96.95 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 177.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.21 -42.62 79.57 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.549 0.74 . . . . 0.0 111.76 177.178 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 78.6 mmm -65.28 -40.92 94.5 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.221 -0.924 . . . . 0.0 111.912 175.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.61 -34.84 72.56 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.254 -0.904 . . . . 0.0 112.203 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.1 m -73.05 -24.56 60.71 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.8 p -102.49 -0.99 31.42 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.69 26.07 68.26 Favored Glycine 0 CA--C 1.533 1.21 0 O-C-N 121.707 -0.621 . . . . 0.0 113.778 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.49 15.74 70.44 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-O 118.901 -0.944 . . . . 0.0 115.276 178.251 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -83.74 103.07 12.73 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.364 1.582 . . . . 0.0 110.363 174.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.1 t -53.61 -41.71 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.001 0.921 . . . . 0.0 111.319 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -59.65 -43.56 93.86 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.7 mt -75.56 -36.46 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.76 76.0 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.442 -0.787 . . . . 0.0 111.783 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.4 pt -66.59 -36.81 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.348 -0.845 . . . . 0.0 111.457 176.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.87 -49.62 76.09 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.864 0.756 . . . . 0.0 112.395 171.481 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -62.95 -39.49 94.78 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 121.265 -0.897 . . . . 0.0 112.4 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.3 mt -67.11 -39.66 86.72 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 pp -83.92 -40.89 18.0 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.203 0.91 . . . . 0.0 113.021 -177.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.3 m -66.1 -22.5 66.41 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.582 1.083 . . . . 0.0 113.223 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -64.42 -25.11 67.87 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.956 1.302 . . . . 0.0 112.841 169.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -107.79 -41.47 4.98 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.378 1.471 . . . . 0.0 113.596 -175.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.4 t -158.71 151.75 22.45 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.495 1.118 . . . . 0.0 112.468 -171.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.4 m -78.45 52.22 1.13 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.433 1.493 . . . . 0.0 112.595 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.21 167.44 46.58 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 125.068 1.318 . . . . 0.0 114.514 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.18 11.68 85.1 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.308 0.956 . . . . 0.0 115.101 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 78.5 p -77.65 163.19 26.43 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.241 1.417 . . . . 0.0 113.159 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.8 -165.61 54.77 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.575 1.083 . . . . 0.0 114.614 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.42 166.01 54.09 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.599 1.095 . . . . 0.0 114.494 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.0 m -66.54 152.81 44.49 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.82 1.248 . . . . 0.0 113.205 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -64.64 147.92 51.98 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.31 1.044 . . . . 0.0 112.752 177.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.4 mt -87.49 148.44 24.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.412 1.085 . . . . 0.0 112.053 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.59 -173.33 47.13 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.395 0.998 . . . . 0.0 114.599 -178.66 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.81 -174.45 46.59 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 125.247 1.403 . . . . 0.0 113.12 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.5 m -65.23 141.03 58.78 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.066 0.946 . . . . 0.0 112.873 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.32 157.3 49.56 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.154 0.883 . . . . 0.0 114.232 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.63 -9.67 82.5 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.548 1.07 . . . . 0.0 115.124 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.6 m -77.52 -4.66 46.79 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.374 1.47 . . . . 0.0 114.675 -176.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.6 mtp-105 -66.08 159.94 24.96 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.76 1.224 . . . . 0.0 113.71 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -129.28 155.25 45.89 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 127.237 2.215 . . . . 0.0 110.007 168.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -137.1 154.7 50.23 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.194 1.398 . . . . 0.0 111.535 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.6 mt -90.46 171.25 9.56 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.423 1.089 . . . . 0.0 111.819 177.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.4 p -140.65 164.23 30.74 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.245 1.418 . . . . 0.0 111.344 172.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . 0.275 15.6 m 54.03 -2.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 C-N-CA 129.512 3.125 . . . . 0.0 118.111 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -80.76 -20.92 41.59 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.597 1.159 . . . . 0.0 112.955 171.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.75 179.22 41.44 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.816 1.198 . . . . 0.0 113.672 172.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.0 tpt -124.38 -9.75 7.48 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -175.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.3 mt -131.19 142.81 50.25 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.38 1.072 . . . . 0.0 112.813 -169.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -91.51 -17.12 26.17 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.366 1.066 . . . . 0.0 112.841 169.032 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -80.68 169.0 18.19 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.812 1.245 . . . . 0.0 112.319 173.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.8 m -54.04 156.8 2.8 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.476 1.91 . . . . 0.0 114.874 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -65.53 -13.85 59.8 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -176.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.7 p -53.88 -39.24 65.55 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.676 1.191 . . . . 0.0 113.011 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -67.95 -37.41 81.54 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.518 -0.739 . . . . 0.0 112.882 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -71.81 -39.21 70.01 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.307 -0.87 . . . . 0.0 111.564 176.486 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.8 mm -60.68 -46.71 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.619 0.768 . . . . 0.0 110.463 171.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.75 -46.03 90.4 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.913 0.778 . . . . 0.0 112.055 174.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -59.77 -52.12 66.81 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.624 0.647 . . . . 0.0 111.498 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -68.29 -31.82 71.53 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.72 -49.1 64.37 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.456 1.025 . . . . 0.0 111.033 174.038 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -65.42 -31.88 73.2 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.982 0.513 . . . . 0.0 111.763 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.86 -46.84 64.67 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.479 0.581 . . . . 0.0 112.161 171.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -55.62 -37.41 68.13 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.781 0.833 . . . . 0.0 112.78 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.0 t -92.95 -43.13 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.4 m -123.72 7.3 8.79 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -168.633 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -65.32 155.63 49.15 Favored Glycine 0 CA--C 1.538 1.522 0 O-C-N 121.019 -1.05 . . . . 0.0 114.019 176.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.1 m 49.24 -98.22 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.658 1.983 . . . . 0.0 113.998 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 64.4 p -90.14 -13.76 35.01 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.037 1.335 . . . . 0.0 114.063 -177.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.83 29.64 7.94 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.659 1.583 . . . . 0.0 113.928 -169.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -140.59 148.4 40.88 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.317 1.447 . . . . 0.0 111.772 -172.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 53.5 p -73.67 156.42 37.99 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.74 1.216 . . . . 0.0 113.448 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.386 0 C-N-CA 124.842 1.257 . . . . 0.0 112.937 178.385 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.5 m . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 p -79.03 -26.38 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 123.77 0.828 . . . . 0.0 113.179 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 p -72.58 156.42 39.01 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.371 1.468 . . . . 0.0 113.114 176.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 pp -137.23 160.21 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 126.643 1.977 . . . . 0.0 111.707 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.2 mt -77.03 -29.23 55.2 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -152.65 153.92 34.28 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.657 1.583 . . . . 0.0 113.111 176.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.1 p -126.16 -7.11 6.53 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.901 1.681 . . . . 0.0 113.45 169.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.7 p -88.87 166.2 14.13 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.513 1.925 . . . . 0.0 113.043 -178.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.9 m -127.94 167.7 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 126.486 1.914 . . . . 0.0 111.84 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -115.7 146.85 41.5 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.498 1.519 . . . . 0.0 111.389 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -60.42 -17.11 42.18 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.433 1.093 . . . . 0.0 113.798 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.3 ttt85 -50.16 -34.12 21.35 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.763 1.225 . . . . 0.0 112.084 167.011 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -66.83 -35.3 79.73 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.514 0.726 . . . . 0.0 112.526 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.7 t -73.08 -42.58 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 121.66 -0.65 . . . . 0.0 110.256 174.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -60.07 -40.49 89.68 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.45 0.568 . . . . 0.0 112.328 172.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.6 -41.53 99.02 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.116 0.966 . . . . 0.0 112.061 172.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.18 -42.27 99.34 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.711 1.141 . . . . 0.0 111.958 176.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.0 mm -60.18 -48.63 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.004 0.521 . . . . 0.0 110.83 172.516 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -62.24 -34.44 76.51 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.744 0.817 . . . . 0.0 112.96 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -72.07 -41.52 67.27 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.99 -1.069 . . . . 0.0 112.018 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.0 mt -62.75 -44.9 99.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 118.887 0.767 . . . . 0.0 110.797 170.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.4 tp -55.65 -45.2 77.69 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.559 1.143 . . . . 0.0 111.841 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.7 mtm105 -69.57 -45.86 67.7 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.784 0.834 . . . . 0.0 112.864 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -60.56 -35.93 77.23 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.337 0.971 . . . . 0.0 112.378 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.4 p -86.85 -0.94 57.34 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 50.42 37.42 15.56 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.701 1.6 . . . . 0.0 112.912 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 84.9 p -114.31 175.72 5.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.44 1.096 . . . . 0.0 113.549 -168.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -104.79 150.61 24.65 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.678 0.791 . . . . 0.0 109.394 166.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.94 -22.27 66.66 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.628 -1.295 . . . . 0.0 114.02 -169.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -66.59 -34.28 77.53 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 121.368 -0.833 . . . . 0.0 112.592 169.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -72.12 -39.78 68.6 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.321 -0.862 . . . . 0.0 111.118 174.371 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -63.5 -41.65 98.54 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 122.708 0.403 . . . . 0.0 111.101 173.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.96 -49.3 77.25 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.498 0.719 . . . . 0.0 111.579 172.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.45 -39.76 94.41 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.51 87.18 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.436 0.694 . . . . 0.0 112.31 175.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.2 mmm -69.43 -41.16 76.69 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.185 -0.947 . . . . 0.0 111.944 174.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -64.16 -37.83 88.85 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.79 0.836 . . . . 0.0 111.442 176.096 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.9 m -72.5 -19.73 61.48 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 178.318 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.7 p -112.45 -0.19 15.37 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.643 1.177 . . . . 0.0 114.038 -176.366 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.71 28.25 69.48 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.277 -0.889 . . . . 0.0 113.47 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.27 14.36 76.81 Favored Glycine 0 CA--C 1.532 1.123 0 N-CA-C 115.496 0.958 . . . . 0.0 115.496 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.8 mmt-85 -76.95 93.0 3.72 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.33 1.565 . . . . 0.0 109.727 175.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.5 t -51.35 -44.9 32.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 124.155 0.982 . . . . 0.0 111.829 -174.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -60.04 -42.31 94.15 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 38.7 mt -74.6 -38.38 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 123.314 0.646 . . . . 0.0 109.865 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.96 -49.53 74.37 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.829 0.852 . . . . 0.0 111.436 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.9 pt -68.6 -36.3 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.599 -0.688 . . . . 0.0 110.903 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.72 -47.56 85.74 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.379 0.99 . . . . 0.0 113.104 174.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -69.01 -39.32 79.36 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.691 -0.631 . . . . 0.0 111.975 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.9 tp -66.75 -34.58 78.15 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.442 0.697 . . . . 0.0 112.72 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.6 mt -68.57 -41.19 80.09 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.885 0.874 . . . . 0.0 112.193 169.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.9 t -61.29 -36.94 81.47 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.507 -0.745 . . . . 0.0 112.144 174.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -87.38 11.64 14.03 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.859 1.664 . . . . 0.0 114.854 177.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -74.75 44.1 0.21 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 125.876 1.67 . . . . 0.0 113.388 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.5 t -157.16 -9.8 0.09 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.153 2.181 . . . . 0.0 112.8 -177.241 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.7 m -94.65 9.77 37.49 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -169.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.84 148.8 50.76 Favored Glycine 0 CA--C 1.54 1.633 0 C-N-CA 124.261 0.934 . . . . 0.0 113.908 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.52 160.42 53.69 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.449 1.023 . . . . 0.0 114.279 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 77.8 p -91.26 -8.9 47.06 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.364 1.465 . . . . 0.0 114.629 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.5 163.23 51.66 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.681 1.134 . . . . 0.0 114.586 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -73.76 173.3 50.06 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.579 1.085 . . . . 0.0 114.467 177.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 83.9 p -141.56 162.46 35.42 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.82 1.648 . . . . 0.0 112.737 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -67.93 137.4 55.16 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.483 1.113 . . . . 0.0 111.269 178.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 95.8 mt -127.12 148.79 50.15 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.543 1.537 . . . . 0.0 111.282 175.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.64 -168.11 49.64 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 124.239 0.923 . . . . 0.0 114.77 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.0 177.85 51.07 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.822 1.201 . . . . 0.0 114.482 -177.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.2 m -68.79 151.48 46.57 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.752 1.221 . . . . 0.0 113.392 -175.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.07 177.94 38.04 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 124.357 0.98 . . . . 0.0 114.235 174.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.35 160.32 49.28 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 124.336 0.97 . . . . 0.0 114.274 177.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.6 p -82.38 -19.32 39.38 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -177.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 85.1 mtm-85 -88.08 152.79 21.76 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.094 1.358 . . . . 0.0 112.405 175.13 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -146.16 167.15 24.14 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.368 1.867 . . . . 0.0 112.554 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -69.47 160.27 31.73 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.16 0.984 . . . . 0.0 113.101 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -134.29 160.74 36.98 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.952 1.701 . . . . 0.0 114.479 -169.723 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.6 m -126.81 88.46 2.82 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.285 1.434 . . . . 0.0 111.005 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.7 m -130.02 168.5 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.498 1.519 . . . . 0.0 111.308 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -119.72 139.87 51.59 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.858 1.263 . . . . 0.0 112.08 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -163.43 -179.22 37.72 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 125.215 1.388 . . . . 0.0 113.829 176.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 77.3 mtm -79.84 159.88 26.3 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.504 1.122 . . . . 0.0 112.243 178.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.3 tp -56.41 126.84 28.19 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.714 1.206 . . . . 0.0 112.626 -176.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -78.82 -34.18 45.51 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 -173.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.3 t0 60.45 171.3 0.09 Allowed 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.43 1.892 . . . . 0.0 113.783 -169.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.3 m -76.15 47.37 0.45 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.788 1.635 . . . . 0.0 112.292 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -84.7 129.39 34.84 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.525 1.93 . . . . 0.0 113.317 -171.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.8 p -58.21 -42.69 86.75 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.964 1.306 . . . . 0.0 113.466 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -71.04 -43.13 68.49 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -174.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -67.04 -39.32 86.92 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.137 0.881 . . . . 0.0 112.139 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.85 -45.56 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 118.568 0.622 . . . . 0.0 110.905 174.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 57.9 tp -58.7 -47.02 85.97 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.666 -0.646 . . . . 0.0 111.731 174.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -60.95 -49.86 75.74 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.445 0.566 . . . . 0.0 111.264 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.1 tpp85 -65.21 -36.17 83.33 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.342 0.974 . . . . 0.0 112.614 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.6 tp -61.55 -45.97 91.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.194 0.906 . . . . 0.0 110.891 173.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -69.44 -38.12 77.68 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.231 0.612 . . . . 0.0 111.97 -176.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -60.4 -52.46 65.15 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.438 0.563 . . . . 0.0 110.719 170.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 19.0 ttt-85 -58.64 -43.77 89.85 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.384 1.074 . . . . 0.0 112.682 -176.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.2 p -94.83 -31.53 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -172.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 55.6 m -122.43 -9.27 8.54 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -170.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.34 155.27 53.44 Favored Glycine 0 CA--C 1.538 1.489 0 CA-C-N 119.961 1.255 . . . . 0.0 113.745 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.2 p -94.95 142.92 26.91 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.864 1.266 . . . . 0.0 112.477 175.436 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 70.5 m -145.91 134.59 22.24 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.363 1.465 . . . . 0.0 109.994 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -147.49 162.81 38.29 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.898 1.279 . . . . 0.0 112.487 -177.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -141.51 133.81 28.02 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.513 1.525 . . . . 0.0 110.781 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.4 m -81.57 -26.21 35.17 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -172.004 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.346 0 C-N-CA 125.709 1.604 . . . . 0.0 112.314 -178.944 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.6 m -83.08 -12.59 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 -175.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.3 p -69.23 156.47 38.68 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.926 1.29 . . . . 0.0 112.604 173.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.409 ' H ' HD13 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -89.44 -11.27 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 -173.157 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.2 mt -79.95 142.4 35.12 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.997 0.919 . . . . 0.0 112.026 -175.705 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -142.09 158.73 43.41 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.949 1.7 . . . . 0.0 111.352 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.4 m -67.06 151.7 47.14 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.408 1.083 . . . . 0.0 112.671 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.0 p -74.13 156.56 37.25 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.253 1.021 . . . . 0.0 112.768 175.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.4 m -128.68 17.97 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 124.995 1.318 . . . . 0.0 113.572 -173.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -70.23 154.49 41.85 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.971 0.908 . . . . 0.0 112.021 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -59.07 -25.65 63.95 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -173.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -33.72 71.51 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-N 119.676 1.126 . . . . 0.0 112.886 172.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -66.78 -37.38 84.46 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.759 0.709 . . . . 0.0 111.271 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.6 t -76.38 -38.54 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.426 0.69 . . . . 0.0 111.205 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -60.03 -43.73 95.1 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.569 -0.707 . . . . 0.0 111.583 170.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.31 -43.11 98.75 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.365 0.666 . . . . 0.0 111.993 174.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.71 98.13 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.537 -0.727 . . . . 0.0 111.741 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.4 mt -59.72 -49.16 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-O 118.68 -0.676 . . . . 0.0 110.302 175.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.66 -39.3 83.99 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.11 0.868 . . . . 0.0 112.722 176.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.61 -45.87 90.86 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 118.617 0.644 . . . . 0.0 111.802 176.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.72 -42.4 95.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 118.352 0.524 . . . . 0.0 110.435 173.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.3 tp -60.01 -44.65 94.45 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.308 1.043 . . . . 0.0 111.872 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -76.04 -33.36 59.61 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 174.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -63.26 -40.93 98.78 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.983 0.81 . . . . 0.0 112.759 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.9 p -88.34 -11.08 47.33 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.4 t30 55.81 17.09 2.31 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 125.391 1.476 . . . . 0.0 114.039 -169.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 97.3 p -81.91 170.72 15.3 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.706 -1.246 . . . . 0.0 113.22 -174.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.9 p -88.61 159.74 17.74 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 167.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.89 -27.85 68.51 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.088 -1.632 . . . . 0.0 111.956 176.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -65.63 -43.86 88.22 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.591 -0.693 . . . . 0.0 111.805 170.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -62.79 -40.9 98.75 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.104 0.562 . . . . 0.0 111.449 174.33 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -67.08 -42.98 83.73 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.719 -0.613 . . . . 0.0 112.239 176.445 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.27 -45.33 94.95 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.941 0.791 . . . . 0.0 110.887 175.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.53 -39.92 95.69 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.59 0.756 . . . . 0.0 112.946 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.6 88.75 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.621 -0.674 . . . . 0.0 112.285 175.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.5 mmm -66.46 -42.84 86.97 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.26 -0.9 . . . . 0.0 111.915 173.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.6 -36.54 84.16 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.505 1.048 . . . . 0.0 112.418 172.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.9 m -70.76 -23.54 62.43 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.9 p -108.14 2.26 22.8 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -177.49 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.49 23.72 64.53 Favored Glycine 0 CA--C 1.535 1.342 0 O-C-N 121.755 -0.591 . . . . 0.0 114.138 177.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.28 58.68 3.3 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.078 0.847 . . . . 0.0 113.586 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.44 107.65 6.08 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.085 0.954 . . . . 0.0 111.021 177.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.04 -43.27 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -168.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -63.63 -37.89 89.03 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 119.901 1.228 . . . . 0.0 113.2 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.4 mm -73.01 -37.7 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.444 0.698 . . . . 0.0 110.006 177.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.7 -45.74 81.62 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.499 -0.751 . . . . 0.0 111.957 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 pt -68.88 -35.93 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 121.441 -0.787 . . . . 0.0 111.236 175.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.57 -45.82 88.21 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.231 0.923 . . . . 0.0 112.383 171.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -68.9 -33.95 74.61 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.9 mt -65.21 -37.8 88.42 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.305 0.502 . . . . 0.0 112.049 171.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.6 mt -79.62 -41.81 26.25 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.9 p -67.5 -26.28 66.27 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -173.198 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -75.71 -11.29 59.97 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 173.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 53.27 41.0 32.15 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.789 1.636 . . . . 0.0 114.017 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.2 t -150.02 138.03 20.26 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.203 1.401 . . . . 0.0 110.735 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 85.4 p -159.79 154.57 24.43 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.182 0.993 . . . . 0.0 112.917 -173.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.95 -164.97 54.01 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 123.78 0.705 . . . . 0.0 113.973 174.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 179.24 169.88 40.34 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 124.872 1.225 . . . . 0.0 113.163 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.3 m -70.48 140.59 51.94 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.157 0.983 . . . . 0.0 112.548 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.54 -10.82 85.63 Favored Glycine 0 CA--C 1.536 1.37 0 N-CA-C 116.015 1.166 . . . . 0.0 116.015 -176.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.72 -11.67 50.3 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 124.771 1.177 . . . . 0.0 115.884 -173.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.6 p -74.24 -17.31 60.9 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.553 1.177 . . . . 0.0 113.682 173.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -85.26 130.51 34.59 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.442 1.097 . . . . 0.0 111.667 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 pp -144.16 1.4 1.1 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.309 1.444 . . . . 0.0 114.718 168.613 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.97 -149.4 29.59 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.412 1.006 . . . . 0.0 114.114 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.68 -139.37 19.35 Favored Glycine 0 CA--C 1.535 1.323 0 O-C-N 121.843 -0.798 . . . . 0.0 113.076 -176.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.4 m -56.69 136.18 55.01 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.128 1.371 . . . . 0.0 114.282 -169.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.97 -154.97 2.8 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 126.176 1.846 . . . . 0.0 114.271 177.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.71 145.8 49.76 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 123.583 0.611 . . . . 0.0 113.137 175.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 72.3 p -78.77 -20.69 49.26 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -174.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -136.2 155.39 50.2 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.974 1.71 . . . . 0.0 112.022 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -80.19 163.81 23.76 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.272 1.429 . . . . 0.0 111.765 172.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -137.91 148.61 45.47 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.143 1.377 . . . . 0.0 112.217 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.7 tp -144.05 139.65 29.08 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.835 1.254 . . . . 0.0 111.084 178.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.5 m -71.88 -2.31 17.42 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 -169.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.8 m -74.85 -16.79 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -177.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -96.42 140.93 30.35 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.153 1.381 . . . . 0.0 111.538 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.41 167.63 17.29 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.712 1.149 . . . . 0.0 113.708 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 64.1 mtt -139.69 151.07 45.6 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.379 1.472 . . . . 0.0 111.741 176.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.1 mt 59.52 172.21 0.08 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.703 2.001 . . . . 0.0 114.757 -176.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -145.92 155.84 43.13 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.222 1.409 . . . . 0.0 112.238 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -155.9 158.94 38.83 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.598 1.559 . . . . 0.0 110.688 175.456 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.5 t -64.22 -31.39 72.57 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -139.32 -50.66 0.52 Allowed 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -177.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.6 m -64.12 -34.07 77.22 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 120.723 -1.236 . . . . 0.0 113.781 -168.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -71.85 -33.12 68.18 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.8 0.727 . . . . 0.0 112.372 175.31 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -70.13 -46.6 64.44 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.277 -0.889 . . . . 0.0 111.002 175.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.81 -47.41 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 123.409 0.684 . . . . 0.0 110.248 173.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.1 tp -58.99 -46.11 88.96 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 118.567 -0.73 . . . . 0.0 112.257 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -63.14 -44.14 96.37 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.981 1.264 . . . . 0.0 111.629 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -69.41 -35.17 75.47 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.012 -1.055 . . . . 0.0 112.976 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.5 tp -66.32 -36.52 83.13 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.534 -0.729 . . . . 0.0 111.525 172.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.1 ttp85 -66.0 -41.93 90.4 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.649 1.18 . . . . 0.0 110.648 174.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -59.34 -52.61 64.89 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.165 0.893 . . . . 0.0 111.097 172.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 64.8 mtp85 -62.55 -39.66 94.33 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.033 0.933 . . . . 0.0 112.959 -176.148 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.5 t -83.54 -47.92 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.376 0.671 . . . . 0.0 112.018 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 81.5 p -69.43 -30.37 68.3 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.508 1.049 . . . . 0.0 112.247 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -82.13 4.7 75.06 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 125.254 1.407 . . . . 0.0 115.326 173.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.2 t -66.55 161.16 23.65 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.005 1.403 . . . . 0.0 112.671 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.1 p -62.17 132.15 51.84 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.754 1.221 . . . . 0.0 113.417 -172.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.4 -22.93 47.05 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.848 1.259 . . . . 0.0 112.888 171.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 57.54 22.6 8.3 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.098 1.759 . . . . 0.0 115.634 174.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.4 t -146.36 152.59 39.34 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.692 1.197 . . . . 0.0 112.138 -177.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.343 0 C-N-CA 126.296 1.838 . . . . 0.0 111.727 -178.834 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.6 p . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 120.935 0.397 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p -73.01 146.42 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.057 0.943 . . . . 0.0 112.108 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -144.79 159.65 42.53 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.199 1.399 . . . . 0.0 111.902 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.58 157.08 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.422 1.489 . . . . 0.0 113.145 -176.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 65.3 tp -69.37 132.54 46.54 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.818 0.847 . . . . 0.0 110.484 169.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -125.4 147.84 49.02 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.525 1.53 . . . . 0.0 111.227 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.3 m 59.11 171.81 0.07 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 126.711 2.004 . . . . 0.0 114.806 -172.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.4 m -57.92 150.13 21.2 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.776 1.231 . . . . 0.0 112.409 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.3 p -122.09 -36.46 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -172.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 36.4 m120 -75.14 -21.11 59.05 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 120.012 1.278 . . . . 0.0 113.597 -173.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -68.51 -27.87 66.5 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.025 -1.047 . . . . 0.0 112.362 173.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -63.45 -33.3 75.25 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.186 0.994 . . . . 0.0 111.877 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.07 -39.84 90.41 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.396 0.679 . . . . 0.0 111.5 176.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 t -72.28 -39.14 63.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.294 0.638 . . . . 0.0 111.051 176.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.54 -44.5 96.93 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.2 0.6 . . . . 0.0 111.98 173.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.87 -41.36 99.35 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.972 0.909 . . . . 0.0 112.235 173.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.96 96.71 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 118.962 0.801 . . . . 0.0 111.576 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.5 mt -60.22 -46.39 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 123.804 0.842 . . . . 0.0 111.016 172.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -34.88 78.82 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.458 -0.776 . . . . 0.0 112.843 178.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -65.67 -40.86 92.84 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.757 0.823 . . . . 0.0 111.996 173.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.2 mt -64.97 -45.47 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-N 118.823 0.738 . . . . 0.0 111.021 172.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.8 tp -56.08 -44.48 79.0 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.486 1.114 . . . . 0.0 111.524 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -70.09 -46.29 65.19 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.078 0.951 . . . . 0.0 112.56 176.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -58.86 -41.52 87.22 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.31 1.044 . . . . 0.0 112.512 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.2 p -86.57 -1.83 57.98 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 51.0 33.33 8.76 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.394 1.477 . . . . 0.0 113.15 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.2 p -101.82 174.62 5.87 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.854 1.262 . . . . 0.0 113.921 -168.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.2 p -92.01 155.09 18.36 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.388 0.675 . . . . 0.0 110.018 168.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.426 ' HB3' HG22 ' A' ' 96' ' ' VAL . 38.5 mt-10 -64.45 -31.91 73.31 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.115 -0.99 . . . . 0.0 112.355 178.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -67.72 -40.02 84.28 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 122.042 -0.411 . . . . 0.0 111.8 174.081 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -67.29 -39.91 86.06 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.664 0.665 . . . . 0.0 111.935 175.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -65.97 -43.31 88.26 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.936 0.789 . . . . 0.0 112.139 174.672 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.76 -44.57 93.8 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.671 -0.643 . . . . 0.0 111.445 174.327 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -65.71 -40.67 92.47 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.63 -41.87 99.27 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.208 0.603 . . . . 0.0 111.691 174.052 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 69.5 mmm -67.67 -38.02 83.18 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.892 0.877 . . . . 0.0 112.804 174.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -64.79 -42.12 95.3 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.859 0.754 . . . . 0.0 111.529 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.7 p -69.14 -24.48 64.09 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.4 p -102.62 -3.6 26.42 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.936 1.294 . . . . 0.0 113.869 -178.292 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.11 27.38 72.07 Favored Glycine 0 CA--C 1.537 1.418 0 O-C-N 121.579 -0.7 . . . . 0.0 113.645 -177.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.06 14.24 72.59 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 115.351 0.9 . . . . 0.0 115.351 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -77.72 93.23 4.25 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.573 1.686 . . . . 0.0 109.618 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.5 t -53.48 -42.04 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 123.935 0.894 . . . . 0.0 112.28 -170.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -61.96 -41.59 98.17 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.485 1.039 . . . . 0.0 113.447 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.6 mt -74.17 -36.81 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 123.351 0.66 . . . . 0.0 109.563 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.77 -48.34 74.88 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.456 0.702 . . . . 0.0 111.525 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.7 pt -68.58 -35.57 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 119.121 0.873 . . . . 0.0 111.473 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.18 87.43 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.893 0.769 . . . . 0.0 112.859 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -66.23 -42.58 88.45 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.959 0.904 . . . . 0.0 112.058 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.9 tp -63.61 -29.48 70.72 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.166 0.986 . . . . 0.0 112.152 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.8 mt -81.37 -42.76 19.99 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.733 0.813 . . . . 0.0 112.904 169.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.7 p -70.66 -25.55 63.05 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.987 1.267 . . . . 0.0 114.261 -174.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -72.06 -15.32 62.02 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.535 1.134 . . . . 0.0 113.775 169.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -102.02 173.81 6.22 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.008 1.323 . . . . 0.0 111.959 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.7 p -61.7 -16.82 52.31 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 121.0 -1.063 . . . . 0.0 113.752 175.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.3 m -67.96 -11.54 59.02 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.55 1.54 . . . . 0.0 114.393 171.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.95 159.21 43.84 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.513 1.054 . . . . 0.0 114.953 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.81 -170.94 36.25 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.748 1.166 . . . . 0.0 114.71 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 m -75.29 -8.28 56.21 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -172.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.81 27.2 67.41 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 124.08 0.847 . . . . 0.0 114.681 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -75.7 -10.09 84.84 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.699 1.142 . . . . 0.0 115.827 -176.353 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.5 m 53.2 39.52 29.81 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.921 1.689 . . . . 0.0 114.387 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -54.8 -32.22 59.99 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 126.017 1.727 . . . . 0.0 114.203 -170.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.4 mt -111.46 8.75 21.25 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.521 1.528 . . . . 0.0 113.497 -175.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.16 -7.88 84.56 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 124.636 1.112 . . . . 0.0 115.158 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.24 -173.96 42.61 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.976 1.274 . . . . 0.0 114.809 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.9 m -55.96 135.17 52.52 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.635 1.174 . . . . 0.0 112.365 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.79 0.1 79.67 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.401 1.001 . . . . 0.0 115.272 -175.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.97 -32.41 80.8 Favored Glycine 0 CA--C 1.535 1.333 0 CA-C-N 118.89 1.345 . . . . 0.0 113.566 176.419 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 54.1 m -77.97 124.53 28.13 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.331 1.052 . . . . 0.0 110.436 169.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -102.79 3.59 36.97 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -170.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -140.68 158.66 43.65 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 126.154 1.781 . . . . 0.0 112.602 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -147.33 142.04 26.7 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.737 1.615 . . . . 0.0 110.538 174.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.6 mt 55.5 -169.06 0.08 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.708 1.603 . . . . 0.0 113.091 -169.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.8 m -64.6 144.35 57.27 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.52 1.128 . . . . 0.0 112.941 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.7 m -134.31 163.64 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 125.877 1.671 . . . . 0.0 111.96 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -68.23 150.57 48.13 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.217 1.007 . . . . 0.0 112.282 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.72 166.65 54.64 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.519 1.057 . . . . 0.0 114.186 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 64.5 mtt -135.0 156.44 49.03 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.946 1.698 . . . . 0.0 111.349 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.8 tp -122.44 138.63 54.48 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.434 1.494 . . . . 0.0 111.338 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -137.41 153.54 50.14 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.297 1.439 . . . . 0.0 111.678 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.92 -39.7 66.09 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.653 -0.655 . . . . 0.0 111.324 169.731 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.8 p -85.98 49.55 1.8 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.859 2.064 . . . . 0.0 111.752 172.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -52.2 130.18 29.82 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.452 1.501 . . . . 0.0 113.659 -173.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.4 p -55.94 -49.23 74.09 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.624 1.17 . . . . 0.0 113.218 -173.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -71.48 -38.52 71.2 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.222 0.609 . . . . 0.0 112.423 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -65.0 -46.13 82.66 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.127 0.876 . . . . 0.0 111.897 177.665 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 mp -68.76 -41.66 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.564 -0.71 . . . . 0.0 110.394 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.8 tp -57.88 -45.18 86.77 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 118.888 0.767 . . . . 0.0 111.892 173.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -61.58 -47.14 86.85 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.637 0.653 . . . . 0.0 111.532 176.523 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -36.03 82.64 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.602 0.637 . . . . 0.0 112.312 177.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.6 tp -68.65 -39.76 80.53 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.746 -0.596 . . . . 0.0 111.7 173.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 57.8 ttm-85 -63.58 -39.4 94.28 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.244 0.929 . . . . 0.0 111.273 176.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -61.83 -52.69 63.14 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.26 0.482 . . . . 0.0 111.334 171.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -60.16 -40.54 90.28 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.706 0.802 . . . . 0.0 113.093 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.426 HG22 ' HB3' ' A' ' 29' ' ' GLU . 27.0 t -95.2 -33.46 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.569 0.748 . . . . 0.0 113.0 -172.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.9 m -126.14 -5.09 6.74 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -170.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.17 170.63 54.78 Favored Glycine 0 CA--C 1.539 1.569 0 CA-C-N 119.621 1.1 . . . . 0.0 113.778 174.074 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.9 t -150.33 156.58 41.78 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.105 1.362 . . . . 0.0 112.002 177.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 67.6 p -114.43 -2.42 13.23 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.764 1.626 . . . . 0.0 113.609 -177.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -86.62 164.23 16.95 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.443 1.497 . . . . 0.0 113.318 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -122.86 154.03 38.84 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.027 1.731 . . . . 0.0 111.429 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.6 p -145.49 160.15 42.04 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.311 1.445 . . . . 0.0 112.432 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.305 0 C-N-CA 125.015 1.326 . . . . 0.0 112.821 179.138 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.3 p . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.2 m -132.68 157.6 43.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 126.046 1.738 . . . . 0.0 112.07 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.0 m -70.88 135.67 48.17 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.36 1.064 . . . . 0.0 112.1 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -127.67 5.27 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 125.642 1.577 . . . . 0.0 114.455 -173.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.5 mt -87.09 55.59 3.63 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.983 1.313 . . . . 0.0 110.795 176.115 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -90.59 158.91 16.72 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.849 1.659 . . . . 0.0 112.921 -169.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 65.9 p 47.54 -149.18 0.15 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 127.07 2.148 . . . . 0.0 114.877 173.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.1 t -151.2 -178.36 6.59 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.086 1.754 . . . . 0.0 111.65 -175.348 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.9 t -57.73 133.24 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 125.093 1.357 . . . . 0.0 110.708 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -72.49 126.9 30.98 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.875 0.87 . . . . 0.0 112.019 -174.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -70.09 -15.88 63.05 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.804 1.242 . . . . 0.0 114.065 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -58.52 -34.5 71.03 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.233 0.924 . . . . 0.0 113.253 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -68.67 -36.87 79.11 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.257 0.48 . . . . 0.0 111.948 175.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.9 t -69.41 -41.36 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.783 0.833 . . . . 0.0 110.638 175.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.23 -40.43 94.06 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.574 0.75 . . . . 0.0 112.775 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -63.26 -41.48 99.04 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.914 0.885 . . . . 0.0 111.588 172.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.38 94.83 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 118.793 0.724 . . . . 0.0 111.903 176.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.1 mt -58.73 -48.63 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.648 0.779 . . . . 0.0 111.137 171.352 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -67.03 -38.29 85.65 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.513 0.597 . . . . 0.0 111.768 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.46 -43.54 93.17 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.104 -0.998 . . . . 0.0 111.76 173.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.4 mt -63.53 -44.99 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 118.853 0.751 . . . . 0.0 111.005 173.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.7 tp -56.86 -47.53 80.2 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.521 1.129 . . . . 0.0 111.952 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -74.88 -37.46 62.15 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 118.887 -0.577 . . . . 0.0 112.336 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -64.58 -41.34 96.33 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 118.965 0.802 . . . . 0.0 112.611 178.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.5 p -83.44 -5.92 59.3 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 175.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.3 t30 51.35 45.57 27.76 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.663 1.585 . . . . 0.0 112.573 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.2 p -112.83 172.86 6.68 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.002 1.321 . . . . 0.0 113.724 -169.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.4 p -91.95 153.68 19.32 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.579 0.752 . . . . 0.0 110.38 169.124 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.71 -36.4 83.5 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.233 -0.917 . . . . 0.0 111.321 -177.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -66.82 -36.26 81.96 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 173.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -71.7 -33.75 69.04 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.435 1.016 . . . . 0.0 112.381 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -67.15 -43.92 81.1 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.752 0.706 . . . . 0.0 111.436 170.863 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.36 -43.37 96.6 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.227 -0.921 . . . . 0.0 111.375 174.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.58 -40.42 96.85 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.145 0.578 . . . . 0.0 112.304 174.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.78 85.04 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.6 -0.687 . . . . 0.0 112.146 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.6 mmm -67.84 -42.42 81.46 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.383 -0.823 . . . . 0.0 112.326 172.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -65.07 -36.93 85.89 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.658 1.117 . . . . 0.0 112.384 174.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.8 t -66.2 -26.91 67.61 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.312 1.045 . . . . 0.0 113.148 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.5 p -111.71 3.31 17.72 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -173.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.08 23.99 72.84 Favored Glycine 0 CA--C 1.533 1.19 0 O-C-N 121.668 -0.645 . . . . 0.0 113.693 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.76 8.05 83.3 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 118.328 -1.262 . . . . 0.0 116.007 175.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.9 mtt85 -78.12 110.66 13.29 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 120.011 1.906 . . . . 0.0 110.495 173.283 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.6 t -59.29 -38.69 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-O 118.591 -0.719 . . . . 0.0 111.677 -176.08 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -60.49 -44.07 96.34 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 119.752 1.16 . . . . 0.0 113.478 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.1 mm -76.37 -34.93 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 122.602 0.361 . . . . 0.0 110.133 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.12 -49.97 73.76 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.53 -0.731 . . . . 0.0 111.241 174.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.5 pt -67.7 -33.32 61.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 119.365 0.984 . . . . 0.0 111.721 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.61 -47.74 83.32 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.173 0.897 . . . . 0.0 112.597 171.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -69.28 -38.67 78.45 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.932 -1.105 . . . . 0.0 112.669 175.24 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.0 tp -63.19 -34.17 77.06 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.389 1.076 . . . . 0.0 112.247 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.6 mt -77.31 -43.39 33.29 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.229 1.012 . . . . 0.0 113.004 171.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.7 m -75.88 -31.17 59.12 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -173.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 57.51 -60.08 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 129.489 3.116 . . . . 0.0 116.261 -176.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -84.65 158.17 20.92 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.551 1.14 . . . . 0.0 111.969 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.2 p -84.55 -17.22 39.57 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.513 1.125 . . . . 0.0 113.808 177.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.6 m -70.37 155.16 41.06 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.004 1.322 . . . . 0.0 113.375 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.75 -154.05 49.55 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 124.219 0.914 . . . . 0.0 114.349 176.721 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.41 176.14 48.42 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 124.88 1.229 . . . . 0.0 114.255 -174.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.9 m -71.23 145.14 49.81 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.23 1.012 . . . . 0.0 112.81 -176.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 171.33 179.73 42.61 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.481 1.038 . . . . 0.0 113.699 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.9 -43.12 1.39 Allowed Glycine 0 CA--C 1.539 1.547 0 C-N-CA 126.097 1.808 . . . . 0.0 115.912 174.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.7 m -111.82 147.87 34.8 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.774 1.63 . . . . 0.0 112.529 -176.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.7 tptp 46.18 60.16 3.38 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.472 1.909 . . . . 0.0 112.863 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.8 mt -93.54 126.76 38.87 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.338 1.055 . . . . 0.0 110.168 176.369 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.22 -152.28 51.28 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 123.918 0.771 . . . . 0.0 113.301 -174.063 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.67 9.96 86.08 Favored Glycine 0 CA--C 1.54 1.594 0 N-CA-C 116.059 1.183 . . . . 0.0 116.059 172.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.8 m -139.61 151.52 46.07 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.362 1.465 . . . . 0.0 111.881 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.56 175.55 43.59 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.729 1.157 . . . . 0.0 114.482 -178.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.34 -9.69 81.38 Favored Glycine 0 CA--C 1.537 1.463 0 N-CA-C 115.673 1.029 . . . . 0.0 115.673 -176.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.2 m 54.45 31.92 15.66 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.912 1.685 . . . . 0.0 114.728 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.1 mtp-105 -78.25 157.89 29.11 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.816 1.246 . . . . 0.0 112.158 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -93.4 11.15 29.36 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.709 1.604 . . . . 0.0 113.232 170.648 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -146.2 142.32 28.3 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.127 2.171 . . . . 0.0 110.588 -175.18 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -152.78 163.21 40.15 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.298 1.439 . . . . 0.0 112.406 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.9 p -140.81 162.16 36.09 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.622 1.569 . . . . 0.0 112.264 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.3 m -135.66 157.72 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 125.36 1.464 . . . . 0.0 112.431 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -80.87 -15.97 54.91 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.717 1.207 . . . . 0.0 114.15 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -166.39 171.01 41.26 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 126.07 1.795 . . . . 0.0 112.117 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 58.6 mtt 53.3 39.59 30.02 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.124 1.369 . . . . 0.0 113.249 -174.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.5 tp -68.82 -26.41 65.16 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.67 1.188 . . . . 0.0 113.469 -175.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -130.11 155.38 46.29 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.349 1.46 . . . . 0.0 112.489 -177.118 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.7 t0 47.99 57.84 5.67 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.062 1.745 . . . . 0.0 114.019 -178.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.6 m -57.41 149.83 19.83 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.078 1.351 . . . . 0.0 113.332 -177.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -59.3 -30.2 68.16 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -176.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m -60.44 -43.17 97.1 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.298 -0.876 . . . . 0.0 113.008 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -71.96 -32.41 67.25 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.511 1.05 . . . . 0.0 112.871 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -62.94 -48.01 80.74 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 118.937 0.789 . . . . 0.0 111.428 172.39 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.0 mm -61.98 -43.03 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.05 0.94 . . . . 0.0 110.567 175.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 66.6 tp -59.79 -47.76 84.39 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.434 1.015 . . . . 0.0 112.173 174.528 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -57.29 -53.85 53.46 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.06 0.846 . . . . 0.0 111.561 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -67.0 -36.37 82.01 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 118.075 -0.964 . . . . 0.0 112.123 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 34.4 tp -68.95 -41.14 78.4 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 120.383 1.447 . . . . 0.0 111.378 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 50.7 ttt85 -69.4 -37.27 77.42 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.598 0.635 . . . . 0.0 111.389 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -66.54 -48.93 68.14 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.302 0.501 . . . . 0.0 111.78 170.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -61.04 -37.36 82.35 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.5 1.12 . . . . 0.0 113.466 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.1 t -93.66 -38.15 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -176.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.9 m -123.52 -1.84 8.51 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -168.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.19 168.97 36.44 Favored Glycine 0 CA--C 1.535 1.309 0 CA-C-N 119.441 1.018 . . . . 0.0 114.134 -176.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.0 p -66.97 -32.1 73.11 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.318 -1.107 . . . . 0.0 113.578 -176.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 37.4 p -66.91 -18.83 65.57 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.314 1.446 . . . . 0.0 113.871 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.26 -5.82 30.42 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 173.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -101.76 -6.68 23.36 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.328 1.451 . . . . 0.0 113.184 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.8 m -72.71 150.27 43.04 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.734 1.214 . . . . 0.0 113.061 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.266 0 C-N-CA 126.14 1.776 . . . . 0.0 112.158 178.179 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 p -144.93 151.18 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 125.315 1.446 . . . . 0.0 111.08 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -68.56 154.96 40.89 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.791 0.836 . . . . 0.0 112.296 175.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.5 144.74 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.34 1.056 . . . . 0.0 112.54 -178.4 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.3 mt -103.97 -4.58 23.19 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -173.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.0 mmm-85 -133.24 156.35 47.7 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.251 1.82 . . . . 0.0 111.811 -178.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.6 m -136.3 149.11 48.28 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.052 1.741 . . . . 0.0 110.49 173.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.2 m 50.58 38.37 18.61 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.786 1.234 . . . . 0.0 112.632 -173.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 p -70.45 -29.62 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -167.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.0 p30 -149.5 174.2 12.76 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.838 1.255 . . . . 0.0 111.857 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 55.8 p-80 -63.46 -33.42 75.52 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -66.78 -41.42 87.7 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.372 0.987 . . . . 0.0 112.011 178.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -68.41 -39.69 81.54 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.303 0.641 . . . . 0.0 111.727 177.025 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.1 t -72.69 -33.35 44.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 121.448 -0.783 . . . . 0.0 111.987 175.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.7 -41.74 95.81 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 120.809 -1.182 . . . . 0.0 112.092 171.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -61.46 -42.82 99.36 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.951 0.5 . . . . 0.0 111.991 170.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.47 -42.34 98.6 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.57 -0.706 . . . . 0.0 112.009 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.2 mt -61.66 -45.79 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.21 1.004 . . . . 0.0 111.166 174.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.95 -39.63 94.58 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.21 0.914 . . . . 0.0 112.781 176.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -62.79 -43.76 97.95 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.421 -0.8 . . . . 0.0 111.281 174.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.6 mt -63.37 -45.9 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.437 0.695 . . . . 0.0 111.575 174.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.7 tp -56.9 -45.1 82.86 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.872 1.269 . . . . 0.0 111.417 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 -72.86 -41.34 64.87 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 175.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -61.68 -40.73 96.01 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.014 0.925 . . . . 0.0 112.872 177.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.0 p -80.92 -8.92 59.86 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 174.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 52.64 33.83 14.56 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.635 1.574 . . . . 0.0 113.239 -173.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.8 p -100.17 173.31 6.69 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.51 1.124 . . . . 0.0 113.165 -173.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.9 p -98.78 158.09 15.86 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.944 0.898 . . . . 0.0 110.259 168.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.4 -33.73 74.18 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.075 -1.015 . . . . 0.0 112.267 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -68.07 -39.2 83.0 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.36 0.664 . . . . 0.0 112.083 173.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -69.09 -36.84 78.04 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.653 -0.654 . . . . 0.0 112.018 174.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.26 -39.56 82.18 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.233 -0.917 . . . . 0.0 111.757 174.692 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.74 -48.68 80.36 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.426 -0.796 . . . . 0.0 111.742 170.018 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.19 -41.44 96.82 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 177.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.0 -39.93 90.71 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.341 0.657 . . . . 0.0 112.295 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 79.1 mmm -67.06 -43.86 81.6 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.254 -0.904 . . . . 0.0 111.941 174.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.9 -37.58 84.64 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.371 0.987 . . . . 0.0 112.286 176.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.1 t -71.11 -27.45 63.6 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.29 1.036 . . . . 0.0 113.449 177.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.8 p -98.52 -2.41 38.85 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.75 25.02 75.03 Favored Glycine 0 CA--C 1.536 1.351 0 O-C-N 121.341 -0.849 . . . . 0.0 113.815 -177.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.69 7.05 79.23 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 116.081 1.192 . . . . 0.0 116.081 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -74.14 89.5 1.99 Allowed 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 118.711 1.255 . . . . 0.0 109.791 173.192 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.5 p -56.62 -35.3 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.794 0.838 . . . . 0.0 113.023 -172.227 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -60.78 -40.55 93.01 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.121 0.873 . . . . 0.0 113.337 173.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.6 mt -73.9 -36.09 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 122.944 0.497 . . . . 0.0 109.915 176.383 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.06 -47.14 81.29 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.2 -0.937 . . . . 0.0 111.738 177.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.0 pt -68.06 -37.76 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.396 -0.815 . . . . 0.0 111.343 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.84 91.86 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.917 0.78 . . . . 0.0 112.622 171.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -67.63 -39.33 84.65 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.469 1.108 . . . . 0.0 112.131 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.94 -38.58 83.0 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.511 0.725 . . . . 0.0 112.383 174.619 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 80.3 mt -72.05 -30.17 64.89 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 175.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.9 m -88.99 19.62 4.05 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.517 1.527 . . . . 0.0 113.798 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -76.65 70.69 3.18 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.248 1.419 . . . . 0.0 111.669 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -142.89 174.19 10.88 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.368 1.867 . . . . 0.0 112.085 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.1 t -128.59 151.37 49.54 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.139 1.375 . . . . 0.0 112.431 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.4 p -85.75 -6.33 59.13 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.307 1.443 . . . . 0.0 113.271 170.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.93 38.59 0.65 Allowed Glycine 0 CA--C 1.541 1.666 0 C-N-CA 126.381 1.943 . . . . 0.0 115.88 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.57 -8.49 67.19 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.021 1.296 . . . . 0.0 115.328 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.3 m -111.65 33.36 4.8 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.981 1.713 . . . . 0.0 112.736 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 66.56 -107.39 1.97 Allowed Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.784 1.183 . . . . 0.0 112.812 175.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.14 -6.0 59.93 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 124.389 0.995 . . . . 0.0 114.881 173.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.7 t -125.87 168.08 14.35 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.003 1.721 . . . . 0.0 112.0 175.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 pptp? -129.78 155.44 45.94 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.684 1.594 . . . . 0.0 113.01 -175.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.8 mt -80.66 136.83 36.27 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.436 1.495 . . . . 0.0 111.816 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.33 -175.91 45.4 Favored Glycine 0 CA--C 1.539 1.554 0 C-N-CA 124.592 1.092 . . . . 0.0 115.623 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.95 153.88 53.11 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.861 1.219 . . . . 0.0 114.08 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.7 m -80.25 144.27 33.02 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.537 1.135 . . . . 0.0 112.74 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -78.21 172.28 55.2 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.707 1.146 . . . . 0.0 114.584 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.63 163.86 31.98 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.066 1.317 . . . . 0.0 113.059 177.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.7 t -152.08 160.38 43.45 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.002 1.321 . . . . 0.0 112.12 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.0 ttm-85 -70.97 -27.23 63.57 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.124 1.37 . . . . 0.0 113.195 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -140.87 147.14 38.46 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.009 1.724 . . . . 0.0 110.993 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -72.47 -26.27 61.75 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -174.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.8 mt -134.82 156.99 47.94 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.181 1.793 . . . . 0.0 111.717 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.1 t -147.94 161.81 40.58 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.233 1.413 . . . . 0.0 111.689 174.676 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.9 m -80.9 159.35 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.864 1.266 . . . . 0.0 113.337 -176.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -83.61 162.21 20.88 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.816 1.246 . . . . 0.0 111.53 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.55 152.84 49.77 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 123.838 0.732 . . . . 0.0 114.241 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 99.1 mmm -81.3 -17.27 49.89 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -176.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.5 tp 51.45 50.93 17.85 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.437 1.895 . . . . 0.0 114.347 174.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -68.74 -27.94 66.37 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 178.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.33 134.73 57.27 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.06 1.344 . . . . 0.0 112.957 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.7 m -73.96 -37.57 64.46 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 -174.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -67.38 -50.9 57.78 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.262 -0.899 . . . . 0.0 111.642 -177.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.5 p -61.59 -31.5 71.57 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.501 -0.749 . . . . 0.0 112.997 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -63.97 -43.34 96.05 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.216 0.916 . . . . 0.0 111.809 168.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -66.08 -39.23 89.86 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 118.469 -0.777 . . . . 0.0 112.585 174.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.7 mm -60.87 -49.56 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-N 119.477 1.035 . . . . 0.0 110.11 172.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.47 -44.14 96.21 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.91 0.777 . . . . 0.0 111.524 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -62.84 -47.0 85.29 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.8 0.727 . . . . 0.0 111.466 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -41.88 99.6 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 121.286 -0.884 . . . . 0.0 111.779 177.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.06 -49.48 61.08 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.344 1.058 . . . . 0.0 111.744 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -61.6 -42.4 98.81 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.631 0.773 . . . . 0.0 111.426 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -69.67 -39.8 76.79 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.716 -0.615 . . . . 0.0 112.236 176.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.9 ttt-85 -58.36 -44.53 88.84 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.834 0.854 . . . . 0.0 112.629 174.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.3 t -87.74 -38.65 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -174.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.0 m -118.08 -11.82 10.13 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -171.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -99.68 -166.15 29.48 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 125.05 1.31 . . . . 0.0 112.762 171.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.6 m -83.79 -25.44 30.43 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -177.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.5 t -161.1 159.01 28.6 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.535 1.134 . . . . 0.0 112.836 -174.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.13 -6.79 55.81 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.696 1.198 . . . . 0.0 113.542 169.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -74.98 37.1 0.12 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.676 1.59 . . . . 0.0 114.128 -176.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 73.3 p -84.84 -1.24 56.22 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.199 1.4 . . . . 0.0 114.273 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.269 0 C-N-CA 125.533 1.533 . . . . 0.0 112.949 177.42 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.7 m . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.8 m -131.0 157.75 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 125.527 1.531 . . . . 0.0 111.868 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -146.75 165.76 28.66 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.985 1.314 . . . . 0.0 111.998 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.61 151.46 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 126.449 1.9 . . . . 0.0 111.656 -177.011 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.6 tp -73.5 -38.02 65.49 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.412 0.685 . . . . 0.0 112.584 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 94.5 mtm-85 -140.07 147.58 40.51 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.164 1.786 . . . . 0.0 111.35 177.087 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.7 p -81.73 162.49 22.94 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.932 1.293 . . . . 0.0 112.597 174.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.6 p -147.98 159.31 44.03 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.845 1.258 . . . . 0.0 112.776 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.9 t -80.87 141.26 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.589 1.156 . . . . 0.0 110.176 175.25 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -137.83 150.86 47.52 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.886 1.274 . . . . 0.0 111.831 -177.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -60.54 -20.29 59.86 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -54.47 -30.65 53.7 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 118.794 0.725 . . . . 0.0 112.736 172.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -71.29 -44.78 64.54 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.985 0.812 . . . . 0.0 111.198 -174.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -74.45 -35.53 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 122.927 0.491 . . . . 0.0 111.803 175.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -60.89 -46.56 90.15 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.086 0.857 . . . . 0.0 112.099 171.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -64.36 -40.39 95.76 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.086 0.954 . . . . 0.0 112.38 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.54 -42.86 95.44 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.073 0.851 . . . . 0.0 111.85 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.1 mt -62.2 -47.77 91.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.701 0.8 . . . . 0.0 110.764 174.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.76 -39.94 95.73 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.089 0.858 . . . . 0.0 112.823 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -64.27 -44.75 90.77 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.3 -0.875 . . . . 0.0 111.92 175.27 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.8 mt -63.3 -44.68 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 118.72 0.691 . . . . 0.0 110.806 174.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 42.2 tp -56.19 -45.55 79.74 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.445 1.098 . . . . 0.0 111.85 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -73.12 -43.97 60.89 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.455 0.702 . . . . 0.0 112.641 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -61.91 -39.33 91.62 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.921 0.888 . . . . 0.0 112.732 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.6 p -80.85 -5.88 57.88 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.4 t30 50.83 38.94 21.13 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.376 1.471 . . . . 0.0 113.124 -178.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.9 m -118.74 171.61 8.08 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.847 1.259 . . . . 0.0 112.771 -170.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.3 p -87.88 161.89 17.24 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.471 0.709 . . . . 0.0 110.935 170.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -65.61 -31.15 72.02 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.117 -0.99 . . . . 0.0 111.622 175.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -67.92 -43.0 80.2 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.639 -0.663 . . . . 0.0 112.089 172.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -64.13 -38.92 92.79 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.781 0.719 . . . . 0.0 111.626 174.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -64.29 -44.57 91.23 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.309 0.504 . . . . 0.0 111.733 174.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.82 -44.42 96.94 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.951 0.796 . . . . 0.0 111.657 174.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.04 -39.86 95.03 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.48 -41.82 88.39 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.744 -0.598 . . . . 0.0 112.128 175.017 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.0 mmm -62.11 -43.07 99.63 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.614 -0.679 . . . . 0.0 111.543 173.228 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -64.82 -42.43 94.98 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.332 -0.855 . . . . 0.0 111.987 175.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.1 t -67.45 -32.4 73.24 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.238 1.015 . . . . 0.0 113.221 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.6 p -97.9 3.08 49.77 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.34 21.35 64.91 Favored Glycine 0 CA--C 1.533 1.21 0 O-C-N 121.353 -0.842 . . . . 0.0 114.289 174.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.41 -2.95 83.65 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 116.115 1.206 . . . . 0.0 116.115 174.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -75.92 108.53 8.86 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.492 1.646 . . . . 0.0 110.425 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.0 p -61.14 -36.14 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -171.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -62.1 -40.3 95.41 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 121.24 -0.913 . . . . 0.0 113.305 175.414 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.0 mt -74.96 -35.37 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.648 0.779 . . . . 0.0 109.865 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.97 77.88 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.496 -0.753 . . . . 0.0 112.05 175.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 pt -67.74 -35.24 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 121.208 -0.933 . . . . 0.0 111.348 176.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.33 -42.94 92.62 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.34 0.973 . . . . 0.0 112.854 169.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -66.36 -35.5 80.5 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.785 0.834 . . . . 0.0 112.744 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.2 mt -72.57 -36.52 68.21 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 175.284 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.5 mt -85.36 -45.57 11.77 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -175.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.6 m -120.35 4.24 10.76 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.21 1.404 . . . . 0.0 114.722 -169.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.7 tttt 51.26 27.46 3.57 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.216 1.806 . . . . 0.0 115.22 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -141.07 160.11 40.79 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.786 2.034 . . . . 0.0 110.533 178.297 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.4 p -78.63 -26.36 45.21 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.755 0.822 . . . . 0.0 112.833 176.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.9 m -70.72 156.9 38.91 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.529 1.532 . . . . 0.0 112.807 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -156.56 176.64 33.85 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.646 1.117 . . . . 0.0 113.74 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.59 166.39 53.03 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.284 0.945 . . . . 0.0 114.683 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.7 t -146.55 149.5 33.72 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.308 1.443 . . . . 0.0 111.906 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.35 -9.02 87.07 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 124.233 0.921 . . . . 0.0 114.599 172.103 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.03 20.97 80.18 Favored Glycine 0 CA--C 1.539 1.534 0 CA-C-N 118.442 1.121 . . . . 0.0 114.581 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.1 m -67.5 146.97 53.42 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.222 1.409 . . . . 0.0 113.403 -175.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.87 168.3 23.38 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.771 1.628 . . . . 0.0 112.027 172.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 97.3 mt -120.71 155.21 34.38 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.218 1.407 . . . . 0.0 111.793 175.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.51 178.58 51.69 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.683 1.135 . . . . 0.0 114.579 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.33 170.95 44.52 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 125.095 1.331 . . . . 0.0 114.584 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.2 m -87.09 -9.52 55.16 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -172.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.88 -153.87 53.1 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.025 0.822 . . . . 0.0 113.137 -173.355 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.58 33.56 67.38 Favored Glycine 0 CA--C 1.536 1.403 0 O-C-N 122.034 -0.686 . . . . 0.0 114.632 175.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.0 t -56.09 137.87 50.58 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.512 1.125 . . . . 0.0 113.376 -176.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -88.81 -13.8 38.5 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.845 1.258 . . . . 0.0 112.862 172.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -84.71 -33.7 23.07 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.967 1.307 . . . . 0.0 112.173 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -68.26 134.8 50.95 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.835 0.854 . . . . 0.0 111.972 174.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.8 tp -151.78 140.38 20.72 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.757 1.223 . . . . 0.0 111.643 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 84.2 p -145.22 157.23 44.12 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.556 1.542 . . . . 0.0 111.391 170.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.7 m -138.23 165.74 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 125.312 1.445 . . . . 0.0 112.003 -177.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -65.87 142.54 57.88 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.356 0.662 . . . . 0.0 111.841 173.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 68.96 15.63 69.57 Favored Glycine 0 CA--C 1.542 1.74 0 N-CA-C 115.421 0.928 . . . . 0.0 115.421 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.2 ttt -70.0 138.23 52.04 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.629 1.214 . . . . 0.0 112.119 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.9 tp -74.02 140.4 45.4 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.225 1.01 . . . . 0.0 111.961 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -146.9 167.24 24.43 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.44 1.496 . . . . 0.0 111.773 176.381 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -140.5 157.97 44.7 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.879 1.272 . . . . 0.0 111.756 173.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.8 t -155.08 147.0 23.48 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.225 1.41 . . . . 0.0 111.69 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -62.7 -23.23 67.04 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.643 -0.661 . . . . 0.0 112.517 169.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.1 m -58.63 -48.99 79.15 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.105 0.866 . . . . 0.0 112.084 172.66 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -71.4 -32.44 68.43 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.171 -0.956 . . . . 0.0 112.991 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -64.48 -47.15 80.04 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.002 0.819 . . . . 0.0 111.501 173.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.0 mm -62.51 -44.26 99.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.521 0.728 . . . . 0.0 110.162 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 58.6 tp -58.15 -53.78 54.39 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.374 0.988 . . . . 0.0 112.204 176.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -68.07 -40.49 82.73 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.751 0.705 . . . . 0.0 111.567 -174.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -65.2 -35.29 80.59 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.969 0.804 . . . . 0.0 112.26 173.008 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 26.3 tp -70.79 -36.07 72.84 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.448 1.022 . . . . 0.0 112.275 175.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -62.79 -45.83 90.84 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.063 0.945 . . . . 0.0 111.134 173.758 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -61.53 -50.48 72.51 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 117.923 0.329 . . . . 0.0 111.475 174.301 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.9 ttt85 -60.04 -41.13 91.63 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.907 1.283 . . . . 0.0 113.796 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.6 t -96.94 -34.53 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.611 0.765 . . . . 0.0 112.464 -173.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.2 m -116.61 -1.64 12.12 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -172.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.08 153.25 16.47 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 124.565 1.079 . . . . 0.0 113.26 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.5 m -65.48 -22.25 66.72 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -175.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.4 p -90.82 -4.11 56.87 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.778 1.631 . . . . 0.0 113.857 174.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 48.07 -143.03 0.45 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.711 1.604 . . . . 0.0 112.962 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -74.12 -29.83 62.01 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.167 -0.958 . . . . 0.0 112.973 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.0 t -158.92 143.72 15.88 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.111 1.364 . . . . 0.0 111.811 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.225 0 C-N-CA 126.266 1.827 . . . . 0.0 112.032 177.74 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.2 p . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 119.51 -0.281 . . . . 0.0 111.638 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.6 m -76.64 156.12 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.72 1.208 . . . . 0.0 112.506 177.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -76.22 155.78 34.15 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.733 0.813 . . . . 0.0 112.253 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.0 mm -90.67 136.25 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.738 1.215 . . . . 0.0 110.874 -173.518 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.1 mt -75.8 155.63 35.26 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.896 0.878 . . . . 0.0 112.58 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -69.04 146.08 52.97 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.924 0.889 . . . . 0.0 111.673 176.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.9 p 40.03 -105.74 0.05 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.081 2.152 . . . . 0.0 114.155 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.2 m -151.69 141.77 22.19 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.824 2.05 . . . . 0.0 110.023 171.444 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.4 m -112.37 -1.52 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 -171.346 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -54.97 -49.85 70.4 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.199 1.0 . . . . 0.0 112.964 -175.717 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -56.53 -45.06 81.34 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.931 0.892 . . . . 0.0 113.151 175.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -62.55 -47.75 82.52 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.592 0.757 . . . . 0.0 111.175 176.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.01 -41.65 98.29 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.354 0.524 . . . . 0.0 112.089 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.9 t -67.34 -47.67 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.648 0.779 . . . . 0.0 112.027 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -68.57 -37.16 79.65 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.473 -0.767 . . . . 0.0 112.333 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -62.36 -42.13 99.16 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.866 0.867 . . . . 0.0 112.151 169.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.11 -38.75 92.19 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 118.786 0.721 . . . . 0.0 111.602 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.7 mt -59.12 -47.78 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.721 0.809 . . . . 0.0 111.211 172.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.24 -35.31 80.09 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.699 1.136 . . . . 0.0 113.693 175.432 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -63.64 -44.37 94.08 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.273 -0.892 . . . . 0.0 111.015 175.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 53.9 mt -63.72 -43.83 98.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.671 0.788 . . . . 0.0 111.18 173.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.0 tp -58.41 -43.31 88.56 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.608 0.763 . . . . 0.0 112.059 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -68.64 -47.11 67.42 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.08 0.952 . . . . 0.0 112.375 175.305 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -62.34 -41.07 98.26 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.15 0.98 . . . . 0.0 113.233 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.7 p -84.63 -11.13 56.55 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 52.02 41.33 29.72 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.515 1.526 . . . . 0.0 113.065 174.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.0 t -131.26 -176.09 3.91 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.786 1.234 . . . . 0.0 111.936 178.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.4 p -85.15 161.05 19.8 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.626 0.77 . . . . 0.0 112.568 -176.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.13 -33.92 77.18 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 121.294 -0.879 . . . . 0.0 111.259 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -64.74 -46.65 81.32 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 118.864 -0.588 . . . . 0.0 111.341 172.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -64.43 -32.14 73.63 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.257 0.935 . . . . 0.0 112.627 177.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.41 -44.07 75.84 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.163 0.892 . . . . 0.0 112.101 171.288 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.04 -43.43 98.9 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.081 0.855 . . . . 0.0 111.412 174.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.67 -41.84 98.12 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.298 1.039 . . . . 0.0 112.8 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.84 -39.67 87.71 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.19 0.596 . . . . 0.0 111.963 175.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.0 mmm -65.95 -42.68 89.68 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.701 0.8 . . . . 0.0 112.142 174.343 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -65.54 -38.78 90.62 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.506 -0.746 . . . . 0.0 111.883 175.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -70.07 -20.72 63.21 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.4 p -113.54 3.59 15.8 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.08 26.13 64.98 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 123.791 0.71 . . . . 0.0 114.272 175.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.07 8.99 86.74 Favored Glycine 0 CA--C 1.535 1.305 0 N-CA-C 115.718 1.047 . . . . 0.0 115.718 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -78.41 99.77 6.54 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.956 1.378 . . . . 0.0 109.774 174.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 67.0 t -54.59 -42.06 58.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 123.789 0.836 . . . . 0.0 111.886 -172.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -61.25 -41.76 97.47 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.249 0.931 . . . . 0.0 113.376 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.2 mt -74.16 -37.33 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.347 0.659 . . . . 0.0 109.753 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.27 -49.61 73.41 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.668 0.787 . . . . 0.0 111.842 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 pt -68.58 -35.42 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-O 118.668 -0.682 . . . . 0.0 111.178 177.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.48 -46.08 91.42 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.473 1.033 . . . . 0.0 112.835 171.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -66.36 -40.39 89.76 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 121.357 -0.84 . . . . 0.0 111.851 177.324 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.4 tp -68.13 -34.75 76.93 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.012 0.925 . . . . 0.0 112.807 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 70.9 mt -71.76 -34.46 69.49 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.743 0.817 . . . . 0.0 112.468 170.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.3 m -64.83 -20.25 66.3 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 178.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -74.94 -6.01 46.91 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.81 1.244 . . . . 0.0 113.983 169.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 56.73 60.12 3.22 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.486 1.914 . . . . 0.0 113.585 -177.069 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.0 p 53.93 39.81 30.88 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 116.056 1.872 . . . . 0.0 116.056 167.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.8 m -66.07 156.5 33.66 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.025 0.93 . . . . 0.0 113.03 174.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.18 -172.14 43.15 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.61 1.1 . . . . 0.0 114.412 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.68 168.76 44.1 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 124.628 1.109 . . . . 0.0 113.41 -170.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 84.1 p -149.79 163.3 38.37 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.767 1.227 . . . . 0.0 113.493 -174.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.48 174.76 42.07 Favored Glycine 0 CA--C 1.54 1.637 0 C-N-CA 124.991 1.281 . . . . 0.0 114.787 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -77.4 -177.67 46.68 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 124.589 1.09 . . . . 0.0 114.39 176.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 92.7 p -69.96 154.87 41.39 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.899 0.88 . . . . 0.0 112.792 176.192 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.329 0.3 OUTLIER 48.01 30.96 2.21 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 127.311 2.244 . . . . 0.0 116.8 170.126 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.3 pp -70.86 162.57 29.01 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.028 1.331 . . . . 0.0 113.512 177.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.71 153.05 48.44 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.188 0.899 . . . . 0.0 113.896 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.18 164.81 54.76 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 124.517 1.056 . . . . 0.0 114.42 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.0 m -134.74 155.01 51.31 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.786 1.635 . . . . 0.0 112.104 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.48 158.37 53.32 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.163 0.887 . . . . 0.0 113.79 176.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.99 -177.63 48.39 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.762 1.173 . . . . 0.0 113.45 -179.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.4 m 53.75 38.76 29.21 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.551 1.54 . . . . 0.0 114.334 176.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -77.26 -21.85 53.04 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -174.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -69.98 135.88 49.86 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.916 1.286 . . . . 0.0 111.544 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -75.83 148.98 37.98 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.641 1.176 . . . . 0.0 113.135 175.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -149.9 160.07 43.88 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.307 1.443 . . . . 0.0 112.54 176.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.7 m -68.29 142.12 55.65 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.789 0.835 . . . . 0.0 112.235 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.6 m -74.64 -32.96 30.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 N-CA-C 113.734 1.012 . . . . 0.0 113.734 -170.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -154.66 168.02 28.2 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.015 1.726 . . . . 0.0 112.495 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.5 174.72 46.18 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.881 1.229 . . . . 0.0 112.732 178.414 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.3 mtp -63.0 -24.89 68.13 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -172.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.6 tp -60.75 -14.63 22.49 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.033 1.333 . . . . 0.0 113.957 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -55.89 -21.37 19.89 Favored 'General case' 0 CA--C 1.551 1.017 0 O-C-N 121.277 -0.889 . . . . 0.0 113.234 169.554 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -17.14 63.15 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 172.153 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.4 m -134.49 71.36 1.45 Allowed 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 127.496 2.318 . . . . 0.0 108.55 172.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.96 -26.59 67.64 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -169.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.0 p -57.17 -42.15 80.56 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.713 -1.242 . . . . 0.0 112.257 169.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -71.62 -31.76 67.24 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.163 0.985 . . . . 0.0 112.129 172.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -65.22 -41.56 94.3 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.928 1.24 . . . . 0.0 112.229 171.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.2 -47.13 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 119.389 0.995 . . . . 0.0 109.921 172.452 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 58.5 tp -55.77 -47.05 77.7 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.84 0.746 . . . . 0.0 112.175 174.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -61.61 -50.54 72.15 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.511 0.724 . . . . 0.0 111.519 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -64.4 -36.38 83.97 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.295 -0.878 . . . . 0.0 112.029 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.7 tp -65.78 -40.93 92.44 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.313 0.96 . . . . 0.0 111.557 174.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.5 ttp180 -63.09 -48.92 76.56 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.73 0.696 . . . . 0.0 111.195 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -66.6 -42.79 86.37 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.448 0.567 . . . . 0.0 111.735 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -62.3 -39.17 92.11 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.121 0.968 . . . . 0.0 112.879 177.627 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.0 t -83.89 -48.2 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.553 0.741 . . . . 0.0 112.512 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.9 m -87.7 -20.92 25.57 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -172.861 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 78.81 160.66 18.11 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.614 1.102 . . . . 0.0 113.935 -175.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.1 m -75.17 -21.74 58.55 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -176.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.7 t -153.68 166.0 34.18 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.557 1.543 . . . . 0.0 111.375 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -142.72 156.16 44.98 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.398 1.479 . . . . 0.0 112.304 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -107.46 154.94 20.61 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.025 1.33 . . . . 0.0 111.889 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 65.6 p -79.94 -14.34 58.68 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.345 0 C-N-CA 126.391 1.877 . . . . 0.0 111.935 178.681 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.7 m -131.52 157.83 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 125.602 1.561 . . . . 0.0 111.995 177.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 p -74.76 157.82 34.55 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.442 1.097 . . . . 0.0 112.977 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.8 mm -84.4 133.49 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.79 0.836 . . . . 0.0 110.842 -174.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.6 mt -133.36 148.73 51.86 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.871 1.668 . . . . 0.0 110.842 177.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -137.31 144.14 42.46 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.449 1.5 . . . . 0.0 111.814 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.0 p -94.74 -18.58 21.14 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.151 1.38 . . . . 0.0 113.83 175.096 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.2 t -151.99 163.71 38.71 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.998 1.719 . . . . 0.0 111.233 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p -117.98 -2.65 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 125.927 1.691 . . . . 0.0 113.079 175.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -60.87 -28.71 69.06 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 120.517 -1.364 . . . . 0.0 113.572 -173.367 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.1 p80 -66.44 -21.86 66.21 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.963 1.305 . . . . 0.0 113.931 175.347 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -58.85 -42.11 88.55 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.985 0.914 . . . . 0.0 112.244 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.21 -32.03 71.03 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.526 0.73 . . . . 0.0 112.326 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.6 t -71.13 -45.46 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.208 0.603 . . . . 0.0 110.636 174.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.19 -41.44 97.07 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.844 -0.535 . . . . 0.0 112.289 175.196 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -61.47 -42.6 99.03 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.654 0.781 . . . . 0.0 111.831 173.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.5 -40.29 85.19 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.805 0.729 . . . . 0.0 112.25 176.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.2 mt -58.54 -48.74 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 123.535 0.734 . . . . 0.0 110.207 171.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -69.31 -34.62 74.95 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.022 0.828 . . . . 0.0 113.157 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -60.26 -51.68 68.51 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.35 0.66 . . . . 0.0 110.786 169.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 55.7 mt -59.45 -44.3 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 118.632 0.651 . . . . 0.0 111.148 176.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.8 tp -57.14 -44.97 83.88 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.743 1.217 . . . . 0.0 112.18 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.3 mtm105 -73.29 -41.19 63.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.651 0.78 . . . . 0.0 113.098 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -63.99 -36.39 83.83 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.501 1.046 . . . . 0.0 112.583 177.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.1 p -82.47 -9.71 59.32 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 173.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.4 t30 50.34 46.14 25.39 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.31 1.444 . . . . 0.0 112.279 -172.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.9 t -114.47 176.44 5.05 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.541 1.136 . . . . 0.0 112.949 -169.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 t -111.22 150.31 29.73 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.993 1.317 . . . . 0.0 110.281 168.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -64.23 -27.73 69.26 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.913 -1.117 . . . . 0.0 112.759 -169.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -65.71 -42.5 91.05 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.388 -0.82 . . . . 0.0 112.233 171.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -72.1 -33.54 67.93 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.541 -0.725 . . . . 0.0 112.068 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -63.28 -43.85 96.74 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.643 -0.661 . . . . 0.0 111.048 171.187 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -62.74 -43.6 98.38 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.273 -0.892 . . . . 0.0 111.545 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.95 -41.05 95.54 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.16 -40.37 90.47 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.333 0.653 . . . . 0.0 112.184 175.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 82.3 mmm -63.5 -44.39 94.48 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.414 -0.804 . . . . 0.0 111.74 173.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.72 -41.2 99.03 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.005 0.82 . . . . 0.0 111.946 176.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.1 t -66.54 -30.52 70.85 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.028 0.931 . . . . 0.0 113.412 176.661 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.6 p -101.84 5.28 41.0 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -177.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.53 21.45 69.4 Favored Glycine 0 CA--C 1.537 1.413 0 O-C-N 121.245 -0.909 . . . . 0.0 114.567 175.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.52 6.65 83.26 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 124.482 1.039 . . . . 0.0 114.615 -178.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.0 mtt85 -77.3 97.04 4.74 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.24 1.52 . . . . 0.0 110.846 174.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.6 p -53.88 -37.75 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 123.51 0.724 . . . . 0.0 112.561 178.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -60.79 -42.58 97.86 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.245 0.93 . . . . 0.0 113.417 176.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.2 mm -78.93 -33.89 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.337 0.655 . . . . 0.0 110.82 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.82 -50.27 72.99 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.436 -0.79 . . . . 0.0 111.198 174.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.3 pt -68.69 -34.47 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 121.417 -0.802 . . . . 0.0 111.611 177.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.72 -44.12 90.34 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.307 0.958 . . . . 0.0 112.544 169.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -67.02 -30.81 71.0 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.156 0.982 . . . . 0.0 113.2 176.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.22 -36.82 74.8 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.708 0.685 . . . . 0.0 112.589 169.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.3 mt -88.6 -24.49 22.82 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -173.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.2 p -62.65 -17.33 60.24 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.272 1.582 . . . . 0.0 115.272 -172.029 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -69.77 -16.47 63.3 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 173.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -73.07 145.9 46.22 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.944 0.897 . . . . 0.0 111.654 177.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.8 p -138.6 154.25 48.68 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.125 1.37 . . . . 0.0 112.874 -176.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.9 m -79.84 173.47 12.56 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.768 1.627 . . . . 0.0 111.69 171.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.63 145.34 28.48 Favored Glycine 0 CA--C 1.537 1.44 0 O-C-N 121.677 -0.64 . . . . 0.0 112.955 172.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.42 23.29 73.47 Favored Glycine 0 CA--C 1.539 1.574 0 O-C-N 122.229 -0.571 . . . . 0.0 113.841 -171.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.5 m 56.25 29.79 15.51 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.399 1.88 . . . . 0.0 114.356 -172.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.02 -171.58 35.17 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.83 1.205 . . . . 0.0 114.502 176.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -167.97 176.31 42.58 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.236 0.922 . . . . 0.0 113.642 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.7 m -74.09 -15.23 61.06 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -172.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -134.69 140.8 46.26 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.771 1.628 . . . . 0.0 111.222 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.0 pp -139.44 167.62 21.68 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.686 1.595 . . . . 0.0 111.914 175.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.64 -169.42 47.83 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 124.084 0.85 . . . . 0.0 114.656 -179.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.68 -179.31 27.87 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.161 1.362 . . . . 0.0 115.248 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.9 m -127.88 19.4 6.6 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.295 1.438 . . . . 0.0 113.526 -174.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.89 -160.67 52.15 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 124.601 1.096 . . . . 0.0 114.004 -175.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.74 163.52 53.5 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.14 0.876 . . . . 0.0 114.245 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.5 p -67.38 -26.81 66.64 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.43 1.092 . . . . 0.0 113.38 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -119.98 135.53 54.88 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.579 1.952 . . . . 0.0 109.798 169.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -139.32 154.41 47.9 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.206 1.803 . . . . 0.0 111.575 -177.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -147.29 157.81 43.73 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.517 1.527 . . . . 0.0 111.276 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.9 mt 53.34 34.56 18.19 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.894 1.678 . . . . 0.0 113.519 -174.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.3 m -62.31 147.43 48.22 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.322 1.449 . . . . 0.0 113.34 -175.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.7 m -76.88 161.15 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 123.99 0.916 . . . . 0.0 112.46 176.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 161.37 31.16 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.535 1.134 . . . . 0.0 113.252 178.169 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.77 175.74 47.72 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.949 1.262 . . . . 0.0 112.977 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.3 ttt -72.8 127.77 33.53 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.678 0.791 . . . . 0.0 111.875 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.3 tp -151.79 135.75 16.49 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.963 1.705 . . . . 0.0 109.78 172.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -69.35 151.97 45.53 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.285 0.634 . . . . 0.0 112.237 178.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -145.94 123.99 12.11 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.811 0.845 . . . . 0.0 113.259 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.0 p -159.74 166.67 30.0 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.945 2.098 . . . . 0.0 110.131 170.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -68.59 130.33 42.53 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.287 -0.883 . . . . 0.0 112.556 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.1 p -77.42 -48.27 17.65 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -70.37 -45.46 65.99 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -167.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -66.63 -44.42 82.05 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.754 1.161 . . . . 0.0 111.039 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 42.8 mm -59.35 -49.73 82.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.055 0.942 . . . . 0.0 110.475 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.83 -45.99 83.81 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.664 0.666 . . . . 0.0 111.48 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -61.25 -49.86 75.38 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.486 1.039 . . . . 0.0 111.341 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.6 tpp85 -70.53 -31.53 68.63 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.576 1.08 . . . . 0.0 113.085 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.0 tp -67.96 -40.18 83.23 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.16 0.891 . . . . 0.0 111.881 172.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.3 ttp85 -65.19 -42.61 93.43 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.691 1.196 . . . . 0.0 110.966 175.595 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -60.99 -51.72 68.04 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.376 0.535 . . . . 0.0 111.019 175.636 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -61.44 -41.43 97.19 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.4 t -86.78 -39.61 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -174.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.7 m -111.53 -11.71 14.04 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -169.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 123.67 136.87 4.83 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 125.207 1.384 . . . . 0.0 113.511 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.8 m -79.07 70.48 5.43 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.282 1.433 . . . . 0.0 113.211 -172.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.2 t -142.37 154.2 44.44 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.611 1.564 . . . . 0.0 111.446 175.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -128.13 16.52 6.7 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.537 1.535 . . . . 0.0 112.848 174.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -72.14 151.42 43.02 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.085 0.954 . . . . 0.0 112.244 -178.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 37.9 m -67.95 150.49 48.43 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.566 1.146 . . . . 0.0 113.148 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.378 0 C-N-CA 124.813 1.245 . . . . 0.0 112.926 175.748 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 120.636 0.255 . . . . 0.0 111.596 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.1 t -75.36 140.01 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.133 1.373 . . . . 0.0 110.985 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.0 m -79.47 60.46 3.22 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.187 1.395 . . . . 0.0 112.512 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.86 155.62 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.453 1.101 . . . . 0.0 113.046 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.6 mt -123.86 160.73 26.8 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.928 1.691 . . . . 0.0 111.466 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 53.06 38.55 27.63 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.998 1.719 . . . . 0.0 113.565 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.5 p -69.71 159.72 32.98 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.452 1.501 . . . . 0.0 113.189 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.0 t -71.32 155.0 41.18 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.808 0.843 . . . . 0.0 113.028 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.1 p -107.43 -0.71 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.968 1.707 . . . . 0.0 112.989 174.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -54.45 -45.72 73.14 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.869 1.267 . . . . 0.0 113.457 -171.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -66.01 -37.57 86.25 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.593 1.157 . . . . 0.0 112.87 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -67.07 -37.22 83.64 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 118.495 0.588 . . . . 0.0 111.059 173.743 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -66.96 -42.39 85.3 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.357 0.663 . . . . 0.0 112.251 176.185 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 m -71.11 -32.3 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 CA-C-N 119.571 1.078 . . . . 0.0 113.161 173.221 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -68.51 -39.7 81.13 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.804 1.184 . . . . 0.0 112.557 172.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -60.89 -43.01 99.09 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.344 -0.848 . . . . 0.0 111.258 169.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.78 98.26 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.791 -0.568 . . . . 0.0 111.801 176.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.0 mt -58.08 -45.81 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.037 0.935 . . . . 0.0 111.415 170.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -36.75 83.58 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.394 0.997 . . . . 0.0 112.592 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -67.88 -40.3 83.59 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.208 -0.933 . . . . 0.0 111.732 173.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.3 mt -62.28 -45.15 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.398 0.679 . . . . 0.0 110.754 172.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.7 tp -58.56 -44.76 89.83 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.719 1.208 . . . . 0.0 111.814 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.7 mtt-85 -69.5 -41.56 75.91 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.521 0.728 . . . . 0.0 112.779 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -65.21 -45.51 84.45 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.175 0.99 . . . . 0.0 112.812 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.7 p -75.31 -13.44 60.42 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.295 13.9 p30 51.27 33.87 10.52 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.664 1.586 . . . . 0.0 114.334 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.1 m -114.74 173.35 6.52 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.273 1.429 . . . . 0.0 111.978 177.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.5 p -79.31 160.57 26.72 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.543 0.687 . . . . 0.0 111.593 174.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -64.37 -31.28 72.42 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.459 -0.775 . . . . 0.0 111.581 172.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -67.83 -43.87 78.55 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.225 0.61 . . . . 0.0 111.841 176.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.13 -33.0 72.76 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.258 -0.901 . . . . 0.0 111.826 175.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -65.3 -41.05 94.46 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.391 -0.818 . . . . 0.0 111.628 171.046 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.52 -49.08 78.98 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.589 0.756 . . . . 0.0 111.813 172.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.34 -39.98 84.91 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 177.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.06 -42.69 80.1 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 175.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.3 mmm -62.39 -42.34 99.35 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.058 -1.026 . . . . 0.0 111.646 174.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -68.69 -35.43 77.17 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.298 -0.876 . . . . 0.0 112.475 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 m -77.96 -24.42 48.15 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 78.3 p -101.35 1.31 38.41 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.17 25.27 49.07 Favored Glycine 0 CA--C 1.533 1.165 0 O-C-N 121.726 -0.608 . . . . 0.0 114.156 176.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.52 2.45 88.92 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-O 118.501 -1.166 . . . . 0.0 115.736 175.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -78.28 114.89 17.58 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.79 1.795 . . . . 0.0 111.249 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.23 -39.36 78.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-O 119.134 -0.46 . . . . 0.0 112.033 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -61.68 -41.76 98.0 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.0 mm -75.4 -36.38 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 122.986 0.514 . . . . 0.0 110.188 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.01 -47.46 74.4 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.64 -0.662 . . . . 0.0 111.972 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 pt -66.81 -35.42 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.439 -0.788 . . . . 0.0 111.264 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.87 -45.42 92.54 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.79 1.177 . . . . 0.0 112.794 171.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -64.74 -36.82 85.53 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 121.413 -0.804 . . . . 0.0 112.705 176.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mp -69.34 -39.0 78.43 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.6 mt -72.47 -26.3 61.75 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.364 0.984 . . . . 0.0 112.31 176.526 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.4 m -79.11 11.42 2.8 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.199 1.4 . . . . 0.0 114.48 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -58.28 -23.36 55.98 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -146.12 166.47 26.05 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.85 1.66 . . . . 0.0 111.939 175.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.3 p -131.25 156.57 45.17 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.7 1.6 . . . . 0.0 111.949 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.7 p -80.94 -23.28 38.98 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -178.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 166.63 -175.48 41.97 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 125.142 1.354 . . . . 0.0 113.403 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -74.98 173.86 52.15 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 124.624 1.107 . . . . 0.0 114.346 174.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -145.52 157.75 43.95 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.343 1.457 . . . . 0.0 112.23 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.39 155.83 53.15 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 124.626 1.108 . . . . 0.0 114.314 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.72 -8.1 87.88 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 124.358 0.98 . . . . 0.0 115.316 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 89.0 p -145.6 166.47 25.67 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.847 1.659 . . . . 0.0 112.259 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -76.76 117.59 18.53 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.44 1.096 . . . . 0.0 110.334 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.1 mt -120.98 -5.1 9.57 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -175.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -173.8 170.24 43.36 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.557 1.075 . . . . 0.0 113.67 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.12 -163.16 54.91 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.535 1.064 . . . . 0.0 114.781 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.3 m -65.47 158.03 27.92 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.257 1.423 . . . . 0.0 113.823 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.83 165.36 45.05 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 124.289 0.947 . . . . 0.0 114.25 175.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.59 155.39 53.38 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.314 0.959 . . . . 0.0 114.229 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 63.9 p -80.16 162.75 24.56 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.248 1.419 . . . . 0.0 113.283 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -68.71 151.98 45.95 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.52 1.128 . . . . 0.0 112.3 176.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -70.65 -36.13 73.24 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.282 1.033 . . . . 0.0 112.105 174.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -89.18 147.91 23.92 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.224 1.41 . . . . 0.0 112.725 174.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.9 mp -109.87 145.27 37.08 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.949 1.3 . . . . 0.0 111.328 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.8 p -83.09 158.35 22.47 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.663 1.185 . . . . 0.0 112.716 175.405 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.2 p -149.27 149.53 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.27 1.428 . . . . 0.0 111.058 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.0 ptmt -141.88 161.9 36.8 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.487 1.515 . . . . 0.0 112.861 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.69 164.88 32.16 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.17 1.367 . . . . 0.0 114.335 -177.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.15 -12.95 22.46 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -176.317 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.6 tp -145.08 146.15 31.72 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.09 1.756 . . . . 0.0 110.612 -172.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -124.31 147.66 47.99 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.895 1.278 . . . . 0.0 111.891 -176.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -151.1 150.96 31.31 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.136 1.375 . . . . 0.0 111.644 -178.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -148.81 141.11 24.11 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.583 1.153 . . . . 0.0 112.121 175.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -79.53 -6.15 56.39 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.645 1.178 . . . . 0.0 112.964 175.522 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.8 m -52.58 -34.99 53.09 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.852 1.261 . . . . 0.0 113.68 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -67.24 -42.25 84.3 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.041 0.837 . . . . 0.0 112.207 178.452 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -67.26 -41.25 85.85 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.504 -0.748 . . . . 0.0 111.461 175.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 32.2 mm -61.89 -47.38 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-O 118.719 -0.657 . . . . 0.0 110.646 174.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 58.2 tp -59.35 -48.88 79.97 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.769 1.168 . . . . 0.0 111.914 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -58.31 -53.75 54.77 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.283 0.492 . . . . 0.0 110.895 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -67.14 -35.13 79.05 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 118.264 -0.874 . . . . 0.0 112.604 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.98 -50.98 60.58 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.392 0.997 . . . . 0.0 111.008 176.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -63.12 -41.03 99.25 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.286 0.634 . . . . 0.0 110.824 -178.021 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -68.44 -46.57 69.48 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.094 0.861 . . . . 0.0 112.793 174.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -25.06 65.04 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.609 1.095 . . . . 0.0 113.845 -177.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.8 p -88.72 -36.79 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 173.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.1 p -92.28 -22.03 19.97 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 -174.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.74 129.72 19.3 Favored Glycine 0 CA--C 1.532 1.12 0 CA-C-N 118.944 0.793 . . . . 0.0 113.946 -173.458 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.1 m -63.48 -23.71 67.51 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 -175.323 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 34.8 p -81.64 -23.48 36.94 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.189 1.396 . . . . 0.0 113.354 174.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.95 -31.94 17.03 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.796 1.239 . . . . 0.0 112.468 175.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -68.56 157.84 35.18 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.571 1.148 . . . . 0.0 112.448 171.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 40.4 m -66.03 149.13 50.73 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.39 1.076 . . . . 0.0 112.91 177.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.276 0 C-N-CA 124.569 1.148 . . . . 0.0 113.026 175.973 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.9 m -75.41 157.14 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 123.952 0.901 . . . . 0.0 112.492 176.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 p -73.74 158.8 33.97 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.403 1.081 . . . . 0.0 112.808 174.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 mp -77.75 133.94 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 123.998 0.919 . . . . 0.0 109.032 176.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.9 mt -132.36 154.26 49.95 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.696 1.598 . . . . 0.0 111.446 -178.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -70.95 -28.32 64.39 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.176 0.99 . . . . 0.0 113.061 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.9 p -145.76 161.63 39.48 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.799 1.64 . . . . 0.0 112.522 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.3 t -149.58 170.57 18.33 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.344 1.457 . . . . 0.0 111.891 177.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.7 p -112.39 2.16 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 125.991 1.716 . . . . 0.0 112.831 176.244 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -59.15 -33.19 70.62 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 120.845 -1.16 . . . . 0.0 113.612 -174.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -64.48 -50.22 68.33 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.46 1.104 . . . . 0.0 111.64 175.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 tpp180 -63.27 -43.02 99.14 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.77 1.228 . . . . 0.0 111.649 176.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -63.11 -43.22 99.05 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.43 0.692 . . . . 0.0 112.075 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.0 t -73.31 -35.59 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 O-C-N 121.506 -0.746 . . . . 0.0 112.226 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.413 ' CG ' HH21 ' A' ' 95' ' ' ARG . 18.8 t70 -64.11 -43.37 95.55 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 121.19 -0.944 . . . . 0.0 111.65 174.575 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.39 -41.45 98.67 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.938 0.895 . . . . 0.0 112.237 169.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.66 88.21 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.618 -0.676 . . . . 0.0 111.879 176.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.8 mt -62.33 -47.42 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.614 172.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -62.65 -36.71 83.71 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 120.468 1.485 . . . . 0.0 113.025 175.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -64.36 -43.4 94.66 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.172 -0.955 . . . . 0.0 111.769 175.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 54.1 mt -63.51 -43.75 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.798 0.839 . . . . 0.0 110.906 173.379 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.1 tp -60.48 -42.54 96.48 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.49 1.116 . . . . 0.0 111.501 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -68.33 -45.04 73.98 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.179 0.991 . . . . 0.0 112.441 173.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -64.2 -40.12 95.41 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.8 p -85.18 -13.22 50.71 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -176.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.6 t30 52.91 52.02 14.73 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.814 1.246 . . . . 0.0 112.443 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -136.81 169.16 18.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.465 1.506 . . . . 0.0 111.987 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.7 p -84.74 161.57 19.96 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.312 0.645 . . . . 0.0 111.989 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -66.03 -31.32 72.15 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.162 -0.961 . . . . 0.0 111.666 174.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -65.23 -44.95 86.56 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 122.99 0.516 . . . . 0.0 111.332 173.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -64.38 -36.93 85.75 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.516 0.598 . . . . 0.0 111.781 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -66.72 -42.03 87.0 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.557 -0.714 . . . . 0.0 111.847 174.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.74 -48.48 81.61 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.902 0.773 . . . . 0.0 111.036 173.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -59.07 -41.47 88.05 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.44 -38.86 92.5 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.382 0.673 . . . . 0.0 112.295 175.037 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 85.3 mmm -69.53 -39.8 77.27 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.899 -1.126 . . . . 0.0 112.657 175.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.64 -44.1 82.85 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.432 1.015 . . . . 0.0 112.008 175.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.2 m -71.92 -19.35 61.93 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 64.2 p -94.52 -2.79 51.02 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 171.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.43 26.13 66.44 Favored Glycine 0 CA--C 1.534 1.257 0 O-C-N 121.761 -0.587 . . . . 0.0 113.762 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.6 59.23 2.39 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.015 0.817 . . . . 0.0 112.976 -175.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.0 mmt-85 -133.54 101.49 5.15 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 118.123 0.961 . . . . 0.0 112.857 171.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.8 p -58.55 -38.27 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.688 0.795 . . . . 0.0 113.077 -175.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -62.08 -43.41 98.89 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 119.557 1.071 . . . . 0.0 113.22 176.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.4 mt -74.17 -35.65 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.421 0.688 . . . . 0.0 110.029 178.323 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.4 -46.12 77.69 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.545 -0.722 . . . . 0.0 111.748 177.221 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.9 pt -66.94 -36.17 76.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 119.435 1.016 . . . . 0.0 111.473 174.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.72 -43.49 90.14 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.163 0.892 . . . . 0.0 112.249 169.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -65.53 -39.06 91.36 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.307 1.043 . . . . 0.0 112.209 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.37 -31.89 70.59 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 174.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.6 mt -79.05 -26.99 43.09 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.051 0.842 . . . . 0.0 112.974 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.9 m -64.55 -5.62 5.87 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -178.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -68.25 -20.57 64.81 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.168 0.894 . . . . 0.0 113.259 169.194 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -79.5 151.66 30.64 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.481 1.112 . . . . 0.0 111.291 172.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.6 p -131.69 153.82 49.61 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.976 1.31 . . . . 0.0 112.764 -176.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 87.0 p -147.96 166.32 28.05 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.851 1.66 . . . . 0.0 112.089 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.34 -146.22 42.11 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 123.918 0.77 . . . . 0.0 113.422 -177.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.51 179.88 40.2 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.641 1.115 . . . . 0.0 113.907 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.0 p -81.04 -8.07 59.69 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -176.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -171.66 -173.45 38.54 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.82 1.2 . . . . 0.0 113.637 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.69 3.21 88.97 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.669 1.128 . . . . 0.0 115.638 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.6 t -151.53 152.63 33.2 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.552 1.541 . . . . 0.0 111.208 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.84 158.55 44.24 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.7 1.6 . . . . 0.0 112.835 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.5 mt 51.33 35.97 15.16 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.51 1.924 . . . . 0.0 114.633 177.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.69 163.07 53.43 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.483 1.039 . . . . 0.0 114.273 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.14 -177.64 45.21 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.896 1.236 . . . . 0.0 115.088 178.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.3 m -72.37 151.22 42.81 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.5 1.12 . . . . 0.0 112.786 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.44 158.32 51.56 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.199 0.904 . . . . 0.0 114.567 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.81 161.59 10.72 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.392 1.473 . . . . 0.0 114.737 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.1 m -73.55 -32.71 64.33 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 121.608 -0.937 . . . . 0.0 113.321 -175.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -87.09 -20.1 27.6 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -178.596 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? 59.5 165.57 0.06 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 127.644 2.377 . . . . 0.0 113.668 -170.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -69.43 143.48 53.58 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.983 0.913 . . . . 0.0 112.244 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.1 tp 48.83 52.68 13.69 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.206 1.802 . . . . 0.0 113.653 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 72.6 p -60.89 -31.04 70.53 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.325 1.05 . . . . 0.0 113.362 177.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.9 m -136.52 160.69 37.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 127.108 2.163 . . . . 0.0 110.759 169.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -148.67 157.24 43.32 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.168 1.387 . . . . 0.0 112.576 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 59.77 18.86 47.59 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 125.3 1.428 . . . . 0.0 116.25 171.002 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . 0.284 23.9 ptp 46.67 35.37 3.0 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.608 1.963 . . . . 0.0 114.866 -169.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.35 144.92 55.15 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.12 0.968 . . . . 0.0 112.323 177.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -95.44 168.46 10.69 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.917 1.287 . . . . 0.0 112.637 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -67.93 154.58 41.28 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.873 1.269 . . . . 0.0 113.19 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.4 m -73.33 146.37 45.29 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -169.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -79.61 62.34 3.87 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.219 1.408 . . . . 0.0 112.643 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.7 m -65.27 -23.06 66.94 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -169.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -63.47 -40.58 97.49 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.259 0.936 . . . . 0.0 113.191 -172.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -67.44 -40.31 85.43 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.794 0.725 . . . . 0.0 111.728 176.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.37 -45.32 93.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.4 0.68 . . . . 0.0 109.371 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.84 -48.71 80.4 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.791 0.836 . . . . 0.0 111.661 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -57.4 -52.39 65.54 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.633 0.651 . . . . 0.0 111.567 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -69.13 -29.76 67.87 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.275 -0.89 . . . . 0.0 113.008 -176.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.5 tp -71.21 -36.17 71.78 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.171 0.896 . . . . 0.0 111.894 173.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -65.84 -38.27 88.44 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 118.757 0.708 . . . . 0.0 111.732 171.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -60.82 -53.34 58.58 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.069 0.85 . . . . 0.0 110.981 172.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ARG . . . . . 0.413 HH21 ' CG ' ' A' ' 15' ' ' ASP . 19.2 mtt180 -59.01 -43.72 91.57 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -178.333 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.3 t -95.63 -33.93 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -171.371 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.4 m -113.52 -10.23 13.2 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -173.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -73.61 173.39 49.6 Favored Glycine 0 CA--C 1.536 1.39 0 CA-C-N 119.741 1.155 . . . . 0.0 113.912 172.769 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.5 p -143.7 163.85 32.13 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.206 1.402 . . . . 0.0 113.008 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.0 m 55.55 38.85 30.77 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.719 1.608 . . . . 0.0 113.113 176.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.53 -21.06 66.58 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -172.309 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -70.01 -20.23 63.28 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.458 1.103 . . . . 0.0 113.188 174.001 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.0 t 58.15 -177.69 0.07 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.936 1.694 . . . . 0.0 114.192 -172.238 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.33 0 C-N-CA 125.738 1.615 . . . . 0.0 112.895 -179.71 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.21 158.01 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 C-N-CA 125.158 1.383 . . . . 0.0 111.773 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.8 m -65.46 144.72 56.86 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.159 0.984 . . . . 0.0 112.173 177.655 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -16.28 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 N-CA-C 115.143 1.534 . . . . 0.0 115.143 -173.572 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.7 tp -71.77 -21.22 61.76 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.57 1.148 . . . . 0.0 113.106 174.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -78.74 147.02 33.56 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.343 1.057 . . . . 0.0 111.947 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.0 m -70.67 148.38 48.11 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.167 0.987 . . . . 0.0 112.274 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.8 p -78.14 163.43 25.85 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.0 0.92 . . . . 0.0 113.09 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.56 -25.5 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -60.02 -27.69 67.11 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.439 -0.788 . . . . 0.0 113.008 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -65.96 -53.19 42.24 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.091 -1.006 . . . . 0.0 111.431 176.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -68.59 -35.01 76.78 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 176.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.64 -50.81 71.93 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.225 1.01 . . . . 0.0 112.106 174.53 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.1 t -79.2 -33.26 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 118.954 -0.546 . . . . 0.0 111.392 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.58 -44.93 95.67 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.543 1.065 . . . . 0.0 112.044 169.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.97 -43.03 99.9 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.565 0.746 . . . . 0.0 111.832 174.237 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.73 96.9 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 118.623 0.647 . . . . 0.0 111.89 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 50.8 mt -60.12 -48.58 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.458 174.308 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.35 -38.36 86.68 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.515 1.052 . . . . 0.0 112.905 177.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -61.54 -47.78 84.01 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.381 0.672 . . . . 0.0 111.251 174.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.47 -46.76 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-N 118.74 0.7 . . . . 0.0 110.971 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.5 tp -57.24 -45.66 83.7 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.894 1.278 . . . . 0.0 111.776 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -80.27 -33.23 37.97 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -62.13 -39.89 94.09 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.655 1.116 . . . . 0.0 111.98 170.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.8 m -82.8 -11.97 57.84 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.678 1.191 . . . . 0.0 112.462 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.2 t30 50.62 40.01 22.82 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.867 1.667 . . . . 0.0 113.412 -172.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.4 p -103.74 173.94 6.09 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.257 1.423 . . . . 0.0 112.607 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.0 t -107.05 157.06 18.12 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.39 1.076 . . . . 0.0 110.996 168.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -66.35 -34.0 76.99 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 120.428 -1.42 . . . . 0.0 113.645 -168.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -68.44 -43.77 76.37 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.501 -0.749 . . . . 0.0 111.293 174.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -59.38 -41.25 88.91 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.355 1.062 . . . . 0.0 111.52 172.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -66.15 -41.35 90.51 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.667 -0.646 . . . . 0.0 111.707 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.62 -45.96 92.07 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.313 0.961 . . . . 0.0 111.622 173.39 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -63.96 -37.3 86.9 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.81 92.53 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.492 0.717 . . . . 0.0 112.146 174.511 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 68.6 mmm -63.81 -44.25 93.84 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.485 0.714 . . . . 0.0 111.411 174.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.45 -41.52 97.34 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.868 0.758 . . . . 0.0 111.987 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 t -67.57 -32.24 72.86 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.4 p -102.05 7.06 41.3 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -175.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.8 19.34 75.71 Favored Glycine 0 CA--C 1.537 1.413 0 O-C-N 121.25 -0.906 . . . . 0.0 114.547 176.362 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.11 3.4 82.6 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.806 1.193 . . . . 0.0 115.498 175.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -78.33 106.94 10.59 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.105 1.453 . . . . 0.0 110.53 175.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.48 -42.09 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 123.607 0.763 . . . . 0.0 111.556 -177.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -60.37 -40.09 89.57 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.0 mt -73.71 -38.03 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.285 0.634 . . . . 0.0 110.021 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.75 -52.12 65.52 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.478 -0.764 . . . . 0.0 111.486 177.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 pt -66.9 -36.02 76.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 121.573 -0.704 . . . . 0.0 111.111 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.58 76.94 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.343 0.974 . . . . 0.0 112.967 173.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -67.28 -29.66 69.32 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.652 0.781 . . . . 0.0 112.507 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.7 mp -75.27 -38.32 60.49 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 172.01 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.7 mt -75.86 -35.91 59.76 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.4 p -63.46 -25.44 68.27 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.918 1.236 . . . . 0.0 114.168 -177.138 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -91.36 -4.73 55.45 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.793 1.637 . . . . 0.0 114.161 173.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -121.83 -25.45 5.02 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.876 1.27 . . . . 0.0 114.312 -170.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 t -53.57 -29.51 37.52 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.52 1.928 . . . . 0.0 113.826 173.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 78.9 p -78.8 -6.33 55.69 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.947 1.699 . . . . 0.0 114.575 175.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.5 -6.03 84.04 Favored Glycine 0 CA--C 1.54 1.639 0 C-N-CA 125.28 1.419 . . . . 0.0 113.471 -168.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.24 -158.45 50.77 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.779 1.181 . . . . 0.0 114.269 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 88.1 p -145.77 160.25 42.02 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.615 1.566 . . . . 0.0 112.184 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.91 -160.66 54.01 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.119 0.866 . . . . 0.0 113.741 -176.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.23 156.7 53.44 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.372 0.987 . . . . 0.0 113.83 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.4 p -81.62 -13.8 57.51 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 -178.044 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -64.48 133.67 52.91 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.015 1.326 . . . . 0.0 111.483 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 91.6 mt -94.36 148.35 22.31 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.964 1.306 . . . . 0.0 112.093 -178.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.2 136.87 27.25 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 123.935 0.779 . . . . 0.0 113.138 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 162.19 -174.08 38.58 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.442 1.02 . . . . 0.0 113.953 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.2 p -135.76 -6.86 2.16 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.728 2.011 . . . . 0.0 114.127 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.1 -120.58 5.35 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.518 1.056 . . . . 0.0 113.449 176.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.51 169.27 37.75 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.767 1.175 . . . . 0.0 113.951 -174.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 91.9 p -82.85 -25.16 32.87 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -172.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.8 mtm105 56.56 36.29 27.37 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 126.323 1.849 . . . . 0.0 114.542 173.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -94.21 2.4 55.92 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 125.652 1.581 . . . . 0.0 114.502 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.12 36.21 0.23 Allowed 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 125.923 1.689 . . . . 0.0 115.039 -169.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.59 142.47 57.47 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.763 1.225 . . . . 0.0 111.228 177.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.3 t -86.4 146.38 26.47 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.834 0.854 . . . . 0.0 112.652 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.17 -21.22 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.764 1.226 . . . . 0.0 112.733 170.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -78.11 -6.79 55.78 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.984 1.313 . . . . 0.0 113.993 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.85 126.53 37.15 Favored Glycine 0 CA--C 1.537 1.444 0 CA-C-N 118.987 0.812 . . . . 0.0 112.457 176.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -153.01 170.87 19.36 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.695 1.198 . . . . 0.0 112.794 -172.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 69.3 tp -60.96 133.88 56.54 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.929 0.891 . . . . 0.0 111.432 174.601 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -133.65 150.34 51.57 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.142 1.377 . . . . 0.0 111.769 174.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -73.71 -41.33 62.74 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -169.652 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.0 m -88.36 119.65 28.99 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.579 0.752 . . . . 0.0 111.393 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -65.0 -37.83 88.96 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -171.641 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 m -63.44 -38.36 90.83 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.145 0.884 . . . . 0.0 112.188 175.679 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -71.36 -39.99 70.92 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.672 -0.643 . . . . 0.0 112.304 175.351 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -58.95 -49.35 78.19 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.624 0.769 . . . . 0.0 111.355 174.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.2 mm -65.69 -45.33 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.204 1.002 . . . . 0.0 110.377 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 60.8 tp -58.63 -47.94 82.67 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.466 1.03 . . . . 0.0 111.871 175.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -59.43 -53.91 52.7 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.717 0.689 . . . . 0.0 110.675 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.5 ttt85 -65.66 -34.69 78.79 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.141 -0.974 . . . . 0.0 112.701 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 32.8 tp -69.32 -38.33 78.18 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.591 1.087 . . . . 0.0 111.807 176.524 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -64.91 -45.34 86.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.743 0.817 . . . . 0.0 111.021 176.385 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -68.73 -42.6 77.39 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 118.939 0.791 . . . . 0.0 111.619 177.205 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 31.0 ttt85 -57.41 -47.97 80.35 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.038 0.935 . . . . 0.0 112.574 177.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.7 t -90.37 -33.93 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -173.484 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.2 m -128.08 5.87 5.93 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -169.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -62.17 -22.67 63.21 Favored Glycine 0 CA--C 1.536 1.365 0 O-C-N 120.495 -1.378 . . . . 0.0 114.343 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.3 p -69.19 -52.64 25.94 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.327 1.051 . . . . 0.0 111.15 169.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.5 m -57.98 -37.61 74.53 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.74 1.616 . . . . 0.0 112.082 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.78 -12.72 56.3 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 176.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -114.89 0.68 13.83 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.023 1.729 . . . . 0.0 113.388 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.6 m -65.65 147.5 53.29 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.184 0.994 . . . . 0.0 112.847 176.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.215 0 C-N-CA 124.925 1.29 . . . . 0.0 112.839 176.521 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.9 p . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.9 m -78.83 156.96 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 124.797 1.239 . . . . 0.0 112.767 177.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.2 m -66.7 146.92 53.94 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.404 1.082 . . . . 0.0 112.793 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.15 -1.02 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -174.383 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.9 tp 52.41 53.0 13.05 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.454 1.502 . . . . 0.0 112.369 -176.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . 0.363 0.0 OUTLIER 50.76 23.63 1.46 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 128.559 2.743 . . . . 0.0 117.947 175.205 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.4 p -69.22 -24.74 64.06 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 176.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.8 p -79.41 160.17 26.77 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.58 1.552 . . . . 0.0 113.321 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.4 t -73.25 131.57 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.929 0.891 . . . . 0.0 110.248 175.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -87.51 120.26 28.63 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.731 0.812 . . . . 0.0 110.615 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -81.72 -3.85 54.77 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -55.78 -31.52 62.68 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.604 1.093 . . . . 0.0 112.27 168.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -61.51 -41.65 97.62 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.353 0.661 . . . . 0.0 111.838 173.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.7 t -71.87 -42.83 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.708 0.803 . . . . 0.0 111.305 176.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.61 -47.18 85.21 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.613 0.765 . . . . 0.0 112.107 174.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -65.58 -40.84 93.2 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.516 0.727 . . . . 0.0 112.209 175.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.67 -41.07 96.34 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.03 0.832 . . . . 0.0 111.907 177.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.3 mt -62.14 -47.59 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.843 0.857 . . . . 0.0 110.73 173.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -62.21 -40.6 96.63 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.412 1.006 . . . . 0.0 112.786 177.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -63.35 -44.33 95.13 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.511 -0.743 . . . . 0.0 111.948 175.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.1 mt -63.14 -46.02 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.063 0.545 . . . . 0.0 111.247 174.675 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.4 tp -55.56 -45.11 77.34 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.865 1.266 . . . . 0.0 111.743 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -72.03 -44.77 62.85 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.595 0.758 . . . . 0.0 112.902 175.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -59.32 -38.83 81.28 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.033 0.933 . . . . 0.0 112.904 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.7 p -83.49 -4.69 58.75 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.8 t30 54.18 37.17 26.61 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 124.439 1.096 . . . . 0.0 112.646 -176.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 84.9 p -113.09 174.57 5.84 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.313 1.045 . . . . 0.0 113.448 -170.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.1 t -107.95 153.05 23.63 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.983 0.913 . . . . 0.0 110.193 167.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -61.89 -28.05 69.23 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.831 -1.168 . . . . 0.0 113.069 -169.671 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -64.34 -38.39 90.86 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.442 -0.786 . . . . 0.0 112.347 173.204 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -67.49 -42.45 82.91 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.777 -0.577 . . . . 0.0 110.877 175.411 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -65.07 -41.88 94.67 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.802 0.441 . . . . 0.0 111.432 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.53 -47.87 81.99 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.456 -0.777 . . . . 0.0 111.973 173.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -61.64 -41.53 97.63 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 122.88 0.472 . . . . 0.0 111.981 179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.58 -47.17 79.69 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.905 0.482 . . . . 0.0 112.028 174.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 68.5 mmm -63.61 -34.09 77.06 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.05 0.841 . . . . 0.0 112.708 177.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -66.55 -40.9 89.27 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.152 -0.968 . . . . 0.0 111.472 170.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.4 t -69.02 -29.59 67.8 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.9 p -96.49 -2.79 44.51 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.71 30.8 65.73 Favored Glycine 0 CA--C 1.539 1.538 0 O-C-N 121.417 -0.802 . . . . 0.0 113.737 -177.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.61 10.91 80.84 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.42 1.01 . . . . 0.0 114.821 -178.086 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -77.11 90.23 3.64 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 118.972 1.386 . . . . 0.0 109.914 176.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.0 p -56.88 -37.55 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.636 0.774 . . . . 0.0 112.892 -175.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.6 ptt-85 -61.06 -41.45 96.64 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 175.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.3 mt -73.58 -37.06 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.164 0.586 . . . . 0.0 109.804 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.6 -46.27 79.99 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.337 -0.852 . . . . 0.0 111.632 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 pt -68.59 -36.08 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.619 -0.676 . . . . 0.0 111.411 175.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.01 -45.62 90.22 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.843 0.747 . . . . 0.0 112.424 171.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -64.31 -44.72 90.73 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 121.457 -0.777 . . . . 0.0 112.215 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.2 -37.15 81.94 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.402 0.681 . . . . 0.0 112.545 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.0 mt -73.48 -47.88 37.77 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.607 0.64 . . . . 0.0 112.209 175.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 72.2 m -66.36 -21.57 66.24 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -179.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -65.89 -23.74 66.7 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.495 1.118 . . . . 0.0 113.088 171.759 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -101.65 160.31 14.56 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.763 1.625 . . . . 0.0 112.452 -177.083 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.0 p -85.13 -21.36 29.29 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.9 m 53.89 32.04 14.42 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.809 1.643 . . . . 0.0 114.235 -177.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.53 158.23 53.36 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 124.409 1.004 . . . . 0.0 114.19 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.48 172.91 53.54 Favored Glycine 0 CA--C 1.541 1.685 0 C-N-CA 124.511 1.053 . . . . 0.0 114.451 177.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.7 m -131.99 148.75 52.53 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.53 1.532 . . . . 0.0 111.997 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.03 142.79 46.73 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.875 0.75 . . . . 0.0 113.122 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.32 3.71 71.54 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 124.458 1.028 . . . . 0.0 115.634 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.0 t -74.81 153.73 38.61 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.741 1.27 . . . . 0.0 112.46 177.363 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -71.14 115.14 9.93 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.688 1.195 . . . . 0.0 109.994 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.7 mt -133.6 144.87 49.54 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 126.014 1.726 . . . . 0.0 110.774 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.33 -160.74 42.92 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 123.962 0.792 . . . . 0.0 113.954 -176.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.67 12.3 77.86 Favored Glycine 0 CA--C 1.54 1.644 0 N-CA-C 116.135 1.214 . . . . 0.0 116.135 172.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.7 m 60.84 168.97 0.09 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.879 2.072 . . . . 0.0 115.144 -175.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 166.91 169.51 30.6 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.639 1.114 . . . . 0.0 114.017 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 71.18 -173.11 43.26 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 124.746 1.165 . . . . 0.0 114.874 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.0 m -74.39 153.55 39.19 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.65 1.18 . . . . 0.0 112.904 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 52.1 tpt85 -70.5 -24.4 62.83 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -178.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -130.32 155.66 45.97 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.53 1.932 . . . . 0.0 111.294 177.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -72.41 141.54 48.68 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.044 0.938 . . . . 0.0 112.091 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.2 mt -136.52 151.47 49.46 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.613 1.565 . . . . 0.0 111.967 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.7 m -69.02 151.25 46.72 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.585 1.154 . . . . 0.0 113.339 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.3 m -134.43 163.12 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 125.844 1.658 . . . . 0.0 112.034 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -140.65 161.25 38.2 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.486 1.514 . . . . 0.0 113.064 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.88 170.66 51.4 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.697 1.142 . . . . 0.0 114.165 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -9.72 59.64 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -176.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -140.14 153.44 46.67 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.634 1.574 . . . . 0.0 112.328 175.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -75.38 -35.59 61.06 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -173.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -144.88 145.56 31.65 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.634 1.174 . . . . 0.0 112.353 -175.609 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.0 t -146.45 157.8 43.81 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.689 1.595 . . . . 0.0 111.088 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -136.58 126.33 25.59 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.585 1.154 . . . . 0.0 112.566 -171.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.6 p -55.79 -51.36 67.72 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.545 1.538 . . . . 0.0 113.594 -172.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . 0.259 2.8 pp0? -72.34 -29.65 64.01 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 118.769 -0.634 . . . . 0.0 112.648 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -66.14 -48.82 69.55 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.857 1.208 . . . . 0.0 111.808 173.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 31.8 mm -61.08 -47.57 92.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 118.371 0.532 . . . . 0.0 110.17 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.29 -43.99 95.77 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.772 0.714 . . . . 0.0 112.364 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -63.05 -49.64 73.77 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.242 0.928 . . . . 0.0 111.359 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -65.46 -35.38 80.74 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.558 1.072 . . . . 0.0 112.529 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.4 tp -66.18 -39.52 89.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.326 0.65 . . . . 0.0 111.96 174.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.6 ttt85 -68.93 -42.4 76.82 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.155 0.582 . . . . 0.0 111.556 176.42 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -61.26 -49.77 75.72 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.602 0.637 . . . . 0.0 111.907 176.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -68.4 -36.66 79.43 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 69.0 t -76.59 -51.87 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 118.812 0.733 . . . . 0.0 111.869 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 61.1 m -69.33 -37.94 77.95 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.034 0.834 . . . . 0.0 112.149 -178.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -65.18 -15.75 61.32 Favored Glycine 0 CA--C 1.538 1.471 0 O-C-N 121.201 -0.937 . . . . 0.0 114.706 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 69.8 m -85.08 -1.06 56.41 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.453 1.101 . . . . 0.0 113.899 173.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.4 t -138.07 -33.91 0.68 Allowed 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.32 131.03 46.09 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.08 -1.012 . . . . 0.0 111.739 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -80.19 -16.12 55.52 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -172.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 24.2 m -87.39 -4.51 59.03 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.818 1.247 . . . . 0.0 114.136 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.362 0 C-N-CA 125.36 1.464 . . . . 0.0 112.879 -179.332 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.9 m . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.8 m -75.57 157.29 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 123.951 0.9 . . . . 0.0 112.49 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -146.54 162.65 37.89 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.255 1.422 . . . . 0.0 111.736 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.9 mp -76.4 136.27 25.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 124.904 1.282 . . . . 0.0 109.904 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.88 158.78 43.29 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.733 1.613 . . . . 0.0 112.277 176.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -76.97 134.73 38.79 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.174 0.99 . . . . 0.0 112.301 -174.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.3 m 62.27 162.97 0.09 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 127.215 2.206 . . . . 0.0 115.499 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.8 p -151.04 164.83 35.53 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.571 1.548 . . . . 0.0 111.941 -179.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.0 m -131.93 150.27 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.068 1.347 . . . . 0.0 112.137 176.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -83.05 157.67 22.78 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.611 1.165 . . . . 0.0 111.625 175.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.6 p80 -59.31 -28.19 66.56 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.791 -1.193 . . . . 0.0 113.314 177.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -61.45 -35.8 78.6 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.062 0.945 . . . . 0.0 113.049 171.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -74.19 -35.72 63.97 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.179 0.592 . . . . 0.0 111.184 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.4 t -66.08 -42.02 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.234 0.614 . . . . 0.0 110.567 171.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.31 -43.66 94.02 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.639 0.776 . . . . 0.0 112.345 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.78 -41.16 97.36 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.996 0.918 . . . . 0.0 112.201 173.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.54 -43.36 97.32 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.62 0.645 . . . . 0.0 111.361 175.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.4 mt -59.19 -44.72 92.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.619 0.767 . . . . 0.0 111.215 173.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -63.98 -39.07 93.3 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.599 0.76 . . . . 0.0 112.193 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.83 -41.63 95.6 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.695 0.798 . . . . 0.0 112.237 174.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.71 -44.47 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.071 0.851 . . . . 0.0 110.666 173.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.7 tp -56.93 -43.71 81.75 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.131 0.972 . . . . 0.0 111.818 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 -70.56 -46.89 62.67 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.586 0.755 . . . . 0.0 112.555 174.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -61.03 -39.55 90.19 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.007 0.923 . . . . 0.0 112.981 -177.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.2 p -81.48 -4.15 55.07 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 176.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.3 t30 52.81 55.32 9.16 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.506 1.522 . . . . 0.0 111.928 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.7 m -124.82 165.4 18.08 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.993 0.917 . . . . 0.0 112.985 -171.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.2 p -89.5 159.32 17.3 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.517 0.727 . . . . 0.0 111.288 169.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.61 -30.79 71.56 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.717 -1.239 . . . . 0.0 112.33 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -68.1 -40.02 82.71 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.351 0.66 . . . . 0.0 111.529 172.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -63.11 -39.53 94.95 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.619 0.645 . . . . 0.0 111.723 172.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.45 -40.76 80.96 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.4 -0.812 . . . . 0.0 111.612 177.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.5 -47.45 85.46 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.462 -0.774 . . . . 0.0 111.745 171.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.66 -40.2 96.23 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 178.198 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.3 -42.33 88.48 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.452 0.701 . . . . 0.0 111.96 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.6 mmm -66.5 -39.95 88.96 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.238 -0.914 . . . . 0.0 111.927 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.72 -38.86 90.32 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.202 0.601 . . . . 0.0 111.784 175.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 m -73.87 -23.47 59.6 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.799 1.036 . . . . 0.0 113.799 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.7 p -106.2 1.83 26.41 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -176.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.55 27.12 71.76 Favored Glycine 0 CA--C 1.534 1.242 0 O-C-N 121.577 -0.702 . . . . 0.0 113.158 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.57 9.22 86.69 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 115.874 1.109 . . . . 0.0 115.874 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.8 mtt85 -74.7 99.7 3.77 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.031 1.915 . . . . 0.0 110.37 174.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.61 -34.34 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 CA-C-O 118.747 -0.644 . . . . 0.0 112.441 -176.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -62.22 -43.55 98.58 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 119.52 1.055 . . . . 0.0 113.699 175.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.6 mt -75.32 -35.02 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.009 0.524 . . . . 0.0 109.773 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.91 -46.97 82.45 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.303 -0.873 . . . . 0.0 111.476 175.674 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.0 pt -67.99 -35.51 72.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 119.871 1.214 . . . . 0.0 111.797 175.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.24 -44.45 88.31 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.586 1.085 . . . . 0.0 112.514 170.229 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -64.97 -44.25 89.98 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.494 1.117 . . . . 0.0 111.711 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 64.0 mt -66.85 -32.7 74.14 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.9 0.88 . . . . 0.0 112.904 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.9 mt -73.08 -38.08 66.54 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.348 0.976 . . . . 0.0 111.919 173.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.5 m -79.95 -32.97 39.96 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.0 mttm 49.51 30.22 3.34 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 127.372 2.269 . . . . 0.0 114.237 -177.001 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.6 162.01 13.5 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -168.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.8 p -115.79 160.32 20.28 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.078 1.751 . . . . 0.0 112.172 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.8 p -137.88 161.65 36.07 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.073 1.349 . . . . 0.0 112.878 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.91 1.41 87.34 Favored Glycine 0 CA--C 1.539 1.561 0 N-CA-C 115.965 1.146 . . . . 0.0 115.965 177.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.6 -15.45 81.34 Favored Glycine 0 CA--C 1.538 1.506 0 CA-C-N 118.72 1.26 . . . . 0.0 115.213 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.4 m -137.43 154.3 49.97 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.929 1.692 . . . . 0.0 112.113 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.71 -172.42 35.69 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.594 1.092 . . . . 0.0 113.955 172.288 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.06 23.67 73.79 Favored Glycine 0 CA--C 1.538 1.476 0 N-CA-C 114.969 0.748 . . . . 0.0 114.969 177.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.2 p -68.0 158.84 31.95 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.906 1.282 . . . . 0.0 113.418 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -129.83 141.18 50.87 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.987 1.715 . . . . 0.0 111.213 -176.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.2 mt -117.53 159.74 22.37 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.514 1.526 . . . . 0.0 112.342 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.34 45.57 2.36 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 125.842 1.687 . . . . 0.0 114.523 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.3 -138.05 33.85 Favored Glycine 0 CA--C 1.537 1.416 0 CA-C-N 117.927 0.863 . . . . 0.0 112.457 -174.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.7 t -140.4 -172.54 3.45 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.054 1.342 . . . . 0.0 111.048 177.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.34 136.78 21.79 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.022 0.82 . . . . 0.0 111.833 169.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.22 11.19 82.01 Favored Glycine 0 CA--C 1.541 1.675 0 N-CA-C 115.544 0.978 . . . . 0.0 115.544 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 88.4 p -127.66 162.82 25.63 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.621 1.569 . . . . 0.0 112.181 176.45 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -75.5 140.14 42.63 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.35 1.06 . . . . 0.0 112.506 -175.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.89 162.09 38.53 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.046 1.739 . . . . 0.0 111.907 169.264 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -76.61 104.14 6.96 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.914 0.885 . . . . 0.0 112.123 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.4 pp -152.16 174.91 13.16 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.293 1.837 . . . . 0.0 112.0 174.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.2 t -118.39 128.75 54.92 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.681 1.192 . . . . 0.0 110.61 170.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.8 m -84.02 149.15 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.762 0.825 . . . . 0.0 113.116 -174.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 94.6 mttt 54.94 13.23 0.71 Allowed 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 127.025 2.13 . . . . 0.0 115.983 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -87.26 171.56 42.33 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.992 1.282 . . . . 0.0 114.162 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.73 37.08 0.34 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.229 1.812 . . . . 0.0 114.283 -177.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.85 -26.59 40.34 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.671 1.188 . . . . 0.0 113.721 -170.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -125.01 6.9 7.95 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -168.634 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -96.65 140.27 31.5 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.399 1.079 . . . . 0.0 112.568 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.3 p -160.33 173.65 15.34 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.176 1.39 . . . . 0.0 111.777 170.003 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -75.41 37.73 0.14 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.434 1.494 . . . . 0.0 112.875 173.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.5 p -50.39 -53.65 27.65 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 126.886 2.074 . . . . 0.0 114.475 -168.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -71.07 -41.78 70.24 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -171.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -68.6 -42.21 78.49 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.896 0.771 . . . . 0.0 111.766 178.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.1 mm -67.21 -44.31 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.302 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.22 -43.7 98.45 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.112 1.324 . . . . 0.0 111.419 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -58.21 -55.92 28.7 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.426 0.557 . . . . 0.0 110.976 176.578 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -66.82 -36.21 81.83 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.21 0.913 . . . . 0.0 112.221 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.4 -49.08 68.0 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.394 0.997 . . . . 0.0 111.625 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -65.19 -37.18 86.51 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.974 0.51 . . . . 0.0 111.381 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -66.49 -45.11 80.71 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.153 0.433 . . . . 0.0 112.125 172.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -59.91 -42.35 93.7 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.249 1.02 . . . . 0.0 112.603 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.6 t -90.04 -37.33 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -175.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.0 m -130.31 4.12 4.74 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -168.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -61.9 -22.02 61.82 Favored Glycine 0 CA--C 1.539 1.564 0 O-C-N 120.225 -1.547 . . . . 0.0 114.858 -176.713 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 62.6 p -83.43 -14.65 52.13 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.698 1.599 . . . . 0.0 114.373 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 64.4 p -122.16 -25.61 4.86 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.811 1.244 . . . . 0.0 113.929 -174.401 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.49 -17.34 64.48 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.713 1.205 . . . . 0.0 113.958 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -71.38 -24.57 62.1 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.295 1.038 . . . . 0.0 113.011 174.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.0 m -75.47 150.07 38.33 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.475 1.11 . . . . 0.0 112.976 -177.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.259 0 C-N-CA 126.142 1.777 . . . . 0.0 112.393 178.448 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.4 m -131.79 160.76 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 125.691 1.596 . . . . 0.0 111.875 178.038 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 t -141.7 164.97 28.77 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.918 1.287 . . . . 0.0 112.092 176.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.535 HD13 ' H ' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -99.62 -9.05 9.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.874 1.67 . . . . 0.0 113.721 178.785 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -148.57 152.69 37.23 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.066 1.346 . . . . 0.0 112.77 176.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 54.39 23.26 4.31 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 126.184 1.794 . . . . 0.0 114.994 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 m -63.74 -22.43 66.9 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.315 1.446 . . . . 0.0 114.13 -173.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.4 p -80.32 -10.46 59.75 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.72 1.608 . . . . 0.0 114.208 174.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 t 52.6 48.67 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.853 1.661 . . . . 0.0 111.45 -174.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 -63.8 123.72 19.64 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.758 1.223 . . . . 0.0 111.799 -176.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 55.5 p-80 -68.77 -16.62 63.85 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -58.4 -30.95 67.25 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.045 0.839 . . . . 0.0 112.538 176.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -63.2 -41.95 99.24 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 118.422 0.555 . . . . 0.0 111.469 176.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.4 t -70.09 -43.58 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.128 0.971 . . . . 0.0 110.936 176.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.92 -46.27 91.32 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.709 0.804 . . . . 0.0 112.343 175.4 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.93 -41.91 97.5 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.309 1.044 . . . . 0.0 111.672 176.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.33 99.08 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.663 0.665 . . . . 0.0 111.845 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.1 mt -59.47 -48.8 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.303 0.641 . . . . 0.0 110.915 174.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.19 -39.59 94.32 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.136 0.88 . . . . 0.0 112.844 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -63.44 -43.14 98.25 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.507 -0.746 . . . . 0.0 111.753 175.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.7 mt -63.14 -47.09 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.465 0.706 . . . . 0.0 110.829 173.73 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.7 tp -59.78 -39.96 86.66 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.347 1.059 . . . . 0.0 111.799 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -71.03 -47.4 58.8 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.282 1.033 . . . . 0.0 112.544 173.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.76 -41.07 94.74 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.127 0.971 . . . . 0.0 112.972 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.5 p -81.61 -8.91 59.77 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.993 1.108 . . . . 0.0 113.993 176.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.279 0.8 OUTLIER 48.64 32.24 3.41 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.18 1.792 . . . . 0.0 113.918 -171.759 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 87.2 p -96.31 -178.34 4.27 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.926 1.29 . . . . 0.0 112.96 -174.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.3 p -103.26 151.09 23.08 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.794 0.838 . . . . 0.0 109.632 168.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -62.5 -31.39 72.14 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.234 -0.916 . . . . 0.0 112.381 -177.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -67.84 -36.07 79.7 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.304 -0.873 . . . . 0.0 113.079 172.513 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -69.58 -38.92 77.55 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.076 0.853 . . . . 0.0 111.538 172.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -63.2 -43.03 99.29 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.824 -0.548 . . . . 0.0 111.243 173.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.02 -45.22 93.35 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.118 -0.989 . . . . 0.0 111.843 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.14 -40.56 96.35 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.153 0.581 . . . . 0.0 112.352 177.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.78 -43.29 84.33 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.73 -0.606 . . . . 0.0 111.878 174.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.4 mmm -62.14 -37.58 85.73 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.027 0.83 . . . . 0.0 112.305 174.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -65.0 -39.79 93.97 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.008 -1.058 . . . . 0.0 111.653 171.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.5 t -64.4 -31.73 73.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.14 0.976 . . . . 0.0 113.565 175.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.7 p -99.83 -0.34 39.95 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -177.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.37 29.41 66.19 Favored Glycine 0 CA--C 1.537 1.463 0 O-C-N 121.457 -0.777 . . . . 0.0 113.537 -176.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.1 10.96 70.64 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.814 1.197 . . . . 0.0 115.163 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.8 mmt-85 -81.29 99.39 8.61 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 119.271 1.536 . . . . 0.0 110.54 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.5 t -54.34 -45.06 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.535 1.134 . . . . 0.0 111.786 -178.129 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.1 ptm85 -60.06 -40.54 89.84 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.6 mt -75.71 -36.02 32.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 122.93 0.492 . . . . 0.0 109.933 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.73 -46.7 77.91 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.264 -0.898 . . . . 0.0 111.56 178.135 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.7 pt -67.48 -35.41 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 118.538 -0.744 . . . . 0.0 111.143 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.47 -45.36 91.85 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.354 0.979 . . . . 0.0 112.982 171.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -68.15 -31.71 71.48 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.2 -44.38 75.96 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.412 0.685 . . . . 0.0 111.883 170.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.3 mt -68.06 -34.18 75.97 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.7 p -84.17 -6.25 59.37 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 171.061 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . 0.279 22.1 ptmt 42.3 33.92 0.46 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.547 1.939 . . . . 0.0 114.412 -169.527 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 54.97 40.17 31.9 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.901 2.081 . . . . 0.0 114.272 -173.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.0 p -111.42 -7.5 14.36 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.1 p -147.43 155.33 41.83 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.056 1.342 . . . . 0.0 112.396 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 154.15 -174.37 32.61 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.995 1.284 . . . . 0.0 113.448 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.05 18.34 80.18 Favored Glycine 0 CA--C 1.538 1.524 0 N-CA-C 115.647 1.019 . . . . 0.0 115.647 174.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.6 m -67.42 -24.75 65.68 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -174.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.28 -171.47 43.15 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 124.899 1.238 . . . . 0.0 114.619 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 174.54 169.2 36.29 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.828 1.204 . . . . 0.0 113.673 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 67.1 p -84.4 -20.91 31.11 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.748 1.219 . . . . 0.0 114.127 -178.594 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -70.58 137.89 50.41 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.917 1.287 . . . . 0.0 111.805 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 98.2 mt -139.66 154.98 47.64 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.505 1.522 . . . . 0.0 110.703 169.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.59 157.85 52.87 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 124.199 0.904 . . . . 0.0 113.848 175.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -77.8 154.39 41.53 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.65 1.119 . . . . 0.0 114.169 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 82.2 p -138.13 4.89 2.51 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -170.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.54 166.02 38.69 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.08 0.848 . . . . 0.0 114.08 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.45 -8.25 44.44 Favored Glycine 0 CA--C 1.539 1.586 0 N-CA-C 116.404 1.322 . . . . 0.0 116.404 -170.049 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.7 p -71.06 -12.71 61.67 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.966 1.307 . . . . 0.0 113.811 171.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -127.55 147.94 50.34 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.711 2.004 . . . . 0.0 111.105 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -84.41 39.03 0.7 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.17 1.388 . . . . 0.0 112.858 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -152.74 139.82 19.27 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.653 1.581 . . . . 0.0 111.097 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.4 mt -142.78 148.88 37.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.691 1.596 . . . . 0.0 110.622 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 62.8 p -59.94 -29.8 68.64 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.273 1.029 . . . . 0.0 113.759 177.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.7 m -89.65 0.54 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 125.566 1.546 . . . . 0.0 114.149 175.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp 49.72 30.75 3.89 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.893 2.077 . . . . 0.0 115.532 174.068 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 59.75 25.43 61.32 Favored Glycine 0 CA--C 1.542 1.73 0 O-C-N 121.026 -1.046 . . . . 0.0 114.177 -174.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 21.1 ttp 60.35 21.12 10.67 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.667 1.987 . . . . 0.0 114.614 -171.342 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.3 tp -104.7 124.42 49.35 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.331 1.453 . . . . 0.0 110.638 174.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -134.38 149.94 50.85 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.843 1.257 . . . . 0.0 111.755 -177.252 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -143.58 54.99 1.33 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.784 1.234 . . . . 0.0 111.534 -174.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.0 t -144.33 150.82 38.43 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.997 1.319 . . . . 0.0 112.208 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -99.54 10.99 40.37 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.533 1.533 . . . . 0.0 112.876 177.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.4 p -45.76 -47.03 15.54 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.513 1.925 . . . . 0.0 114.377 -171.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -70.16 -36.98 75.09 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.342 0.657 . . . . 0.0 112.566 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -77.27 -34.75 55.62 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.464 -0.773 . . . . 0.0 111.943 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.6 mm -59.39 -48.19 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.747 0.819 . . . . 0.0 109.47 169.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.4 tp -60.98 -45.27 95.46 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.579 0.627 . . . . 0.0 112.05 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -58.55 -50.42 73.84 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.032 0.833 . . . . 0.0 112.101 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 51.0 ttm-85 -71.87 -32.07 67.1 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 121.299 -0.876 . . . . 0.0 112.868 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.5 tp -66.66 -38.93 87.87 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.508 0.594 . . . . 0.0 111.534 171.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.0 ttp85 -68.45 -39.3 81.54 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.267 1.027 . . . . 0.0 111.371 176.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -61.06 -50.79 71.88 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.277 0.944 . . . . 0.0 111.142 171.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -63.1 -37.29 86.61 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 70.0 t -88.4 -44.83 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.608 0.763 . . . . 0.0 112.895 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.0 m -107.8 -11.9 15.3 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -169.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.86 149.02 48.91 Favored Glycine 0 CA--C 1.536 1.404 0 CA-C-N 119.6 1.091 . . . . 0.0 113.57 176.828 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 77.6 p -83.9 156.99 22.12 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.769 1.228 . . . . 0.0 112.938 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.9 p -99.24 -7.02 27.04 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.136 1.375 . . . . 0.0 114.44 -177.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.74 153.14 41.28 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.361 1.064 . . . . 0.0 113.342 -178.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -150.64 169.27 21.98 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.456 1.502 . . . . 0.0 112.505 177.181 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.6 m 56.68 32.0 20.31 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 168.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.372 0 C-N-CA 126.384 1.874 . . . . 0.0 111.944 -179.369 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.9 m . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.5 m -132.34 156.8 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 125.662 1.585 . . . . 0.0 111.888 177.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 t -70.94 148.27 47.88 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.481 0.712 . . . . 0.0 111.963 174.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 pp -141.0 161.22 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 126.722 2.009 . . . . 0.0 112.243 -173.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.5 mt -77.75 153.37 33.0 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.133 0.973 . . . . 0.0 112.069 176.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -79.87 155.75 27.65 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.614 1.166 . . . . 0.0 112.249 177.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.1 t -146.11 162.14 38.6 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.372 1.469 . . . . 0.0 111.676 176.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.2 m -66.0 123.58 20.22 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.626 1.17 . . . . 0.0 111.747 -177.306 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.55 -37.46 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.359 0.664 . . . . 0.0 111.687 -172.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -53.95 -46.1 71.48 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.172 0.989 . . . . 0.0 112.008 174.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -78.32 -41.89 32.31 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.42 1.088 . . . . 0.0 111.202 -177.54 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -62.45 -34.88 77.67 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 118.533 -0.746 . . . . 0.0 112.572 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.65 -42.27 98.66 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.855 1.207 . . . . 0.0 111.957 177.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.2 t -71.53 -41.17 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 O-C-N 121.579 -0.7 . . . . 0.0 111.251 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.46 -43.37 98.98 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.165 0.986 . . . . 0.0 112.765 174.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -65.97 -40.19 91.04 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.244 1.018 . . . . 0.0 112.078 173.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.65 -38.7 91.9 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.798 -0.564 . . . . 0.0 111.452 176.388 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.0 mt -59.06 -49.06 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.71 0.804 . . . . 0.0 110.852 170.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.64 -39.42 93.78 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.502 1.046 . . . . 0.0 112.699 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -64.52 -44.92 89.35 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.697 0.799 . . . . 0.0 112.259 175.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.4 mt -60.63 -48.34 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 123.014 0.525 . . . . 0.0 110.125 173.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.83 -37.0 82.81 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.239 1.015 . . . . 0.0 112.533 -177.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -66.0 -43.15 88.57 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.809 0.844 . . . . 0.0 111.961 170.41 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -68.37 -39.94 81.6 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.6 p -74.8 -18.78 60.41 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.013 -1.054 . . . . 0.0 113.622 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 53.18 26.79 5.31 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.962 1.305 . . . . 0.0 113.922 -172.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.6 p -98.68 178.76 4.89 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.934 1.293 . . . . 0.0 111.947 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.1 p -87.65 160.99 17.93 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.505 -0.747 . . . . 0.0 110.482 168.058 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -65.88 -34.32 77.85 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.052 -1.03 . . . . 0.0 111.902 176.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -68.51 -35.87 78.09 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.36 -0.837 . . . . 0.0 112.747 172.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -64.93 -39.17 93.1 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.132 0.878 . . . . 0.0 111.46 170.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -66.28 -43.44 86.4 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.714 -0.616 . . . . 0.0 111.689 175.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.37 -45.05 96.02 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.852 0.751 . . . . 0.0 111.562 174.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -61.24 -41.5 97.0 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.331 0.653 . . . . 0.0 112.245 175.059 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.51 96.76 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.213 0.605 . . . . 0.0 112.116 176.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 60.1 mtp -64.4 -42.6 96.0 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.627 1.103 . . . . 0.0 111.924 173.711 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -64.5 -41.19 96.58 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.187 0.903 . . . . 0.0 112.701 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.4 m -75.79 -23.46 55.88 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.1 p -96.61 2.64 52.45 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.92 19.99 56.57 Favored Glycine 0 N--CA 1.476 1.321 0 O-C-N 121.5 -0.75 . . . . 0.0 114.235 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.62 -1.38 78.68 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.639 1.114 . . . . 0.0 115.622 175.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -76.36 115.29 15.96 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.577 1.689 . . . . 0.0 111.434 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.49 -37.72 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 O-C-N 121.778 -0.576 . . . . 0.0 111.909 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -62.09 -42.96 99.74 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.7 mm -75.2 -35.44 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 122.857 0.463 . . . . 0.0 109.972 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.32 -48.91 73.8 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.705 -0.622 . . . . 0.0 111.891 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.9 pt -67.03 -37.22 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.43 -0.794 . . . . 0.0 111.197 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.2 -46.25 86.16 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.303 0.956 . . . . 0.0 112.355 172.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -65.83 -38.29 88.51 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 121.187 -0.945 . . . . 0.0 112.81 177.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.4 mt -68.83 -34.56 75.7 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 176.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.2 mt -82.18 -38.8 24.09 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.1 p -110.17 -20.32 12.72 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.962 1.838 . . . . 0.0 115.962 -171.663 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . 0.268 22.1 ptmt 42.13 34.65 0.49 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 126.674 1.989 . . . . 0.0 114.912 -171.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -70.49 148.35 48.36 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.292 1.037 . . . . 0.0 113.298 -175.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.8 t -76.06 -23.63 55.07 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -175.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.4 m -62.84 149.28 44.7 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.133 1.373 . . . . 0.0 113.89 -175.145 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -92.4 155.96 23.08 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.808 1.194 . . . . 0.0 114.195 177.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.13 160.7 44.65 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.165 0.888 . . . . 0.0 113.752 173.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.0 m 50.75 40.66 24.93 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.03 1.732 . . . . 0.0 114.938 175.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.8 -11.84 83.22 Favored Glycine 0 CA--C 1.54 1.615 0 N-CA-C 116.1 1.2 . . . . 0.0 116.1 -174.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.85 156.3 53.2 Favored Glycine 0 CA--C 1.539 1.588 0 CA-C-N 118.8 1.3 . . . . 0.0 114.507 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.5 t -150.41 160.41 43.77 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.254 1.422 . . . . 0.0 111.992 177.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -71.08 139.34 50.34 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.926 1.29 . . . . 0.0 111.866 -178.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.2 mt -130.55 159.78 36.12 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.1 1.76 . . . . 0.0 111.458 177.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.09 151.63 49.07 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 123.977 0.799 . . . . 0.0 113.586 175.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 168.94 -176.96 42.96 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.556 1.074 . . . . 0.0 113.781 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.2 m -67.76 150.7 48.32 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.57 1.148 . . . . 0.0 112.812 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.06 156.62 53.58 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 124.002 0.81 . . . . 0.0 113.83 176.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.05 26.1 0.49 Allowed Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.379 0.99 . . . . 0.0 114.928 -176.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.1 m -66.24 149.5 50.25 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.768 1.227 . . . . 0.0 113.115 -175.533 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -130.11 157.41 42.48 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.9 1.68 . . . . 0.0 111.721 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -83.49 -14.86 51.45 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -81.46 65.72 6.71 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.023 1.329 . . . . 0.0 112.421 -176.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.0 mt -101.34 3.55 40.73 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.475 1.51 . . . . 0.0 114.06 -173.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 82.4 p -70.31 147.39 49.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.314 1.045 . . . . 0.0 113.297 -178.439 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.2 t -78.99 133.46 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.093 0.957 . . . . 0.0 110.062 174.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -125.9 154.03 43.34 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.604 1.562 . . . . 0.0 111.893 -174.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.84 -152.02 51.82 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.111 0.862 . . . . 0.0 113.566 -176.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 65.1 mtt -130.84 149.23 52.57 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.441 1.496 . . . . 0.0 111.56 176.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.3 tp -75.79 138.85 41.46 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.109 0.964 . . . . 0.0 111.869 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -146.01 162.19 38.42 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.357 1.463 . . . . 0.0 111.419 173.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -69.27 155.5 40.31 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.972 0.909 . . . . 0.0 113.419 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.4 t -80.36 143.15 33.77 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.018 1.327 . . . . 0.0 112.049 177.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -58.04 -33.11 68.64 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.709 0.804 . . . . 0.0 111.966 172.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.9 m -58.5 -42.9 88.69 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.26 0.624 . . . . 0.0 112.409 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -71.2 -37.18 72.11 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.562 0.619 . . . . 0.0 112.277 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -66.35 -47.59 72.95 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 118.636 0.653 . . . . 0.0 111.865 175.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.5 mm -60.02 -45.65 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.716 0.806 . . . . 0.0 110.296 174.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.24 -46.41 89.89 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.529 1.058 . . . . 0.0 112.182 176.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.89 -52.59 64.76 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.875 0.761 . . . . 0.0 111.216 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -67.55 -34.6 77.41 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 118.715 -0.659 . . . . 0.0 112.685 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.9 tp -68.9 -42.52 76.77 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.657 1.117 . . . . 0.0 111.413 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -65.65 -43.01 90.75 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.903 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -65.76 -45.0 84.18 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 176.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 57.8 mtp85 -57.03 -42.74 81.02 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.657 0.783 . . . . 0.0 112.491 174.467 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.4 t -82.28 -36.73 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.749 0.82 . . . . 0.0 112.279 -175.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.7 p -73.18 -42.13 63.08 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.24 0.927 . . . . 0.0 111.906 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.62 -177.29 13.39 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 124.928 1.251 . . . . 0.0 115.286 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.7 m -67.49 -25.34 65.82 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.506 -0.997 . . . . 0.0 113.581 -177.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 35.4 p -71.26 -12.43 61.45 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.855 1.262 . . . . 0.0 114.061 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.41 -12.82 60.33 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 172.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -71.02 144.86 50.28 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.036 0.934 . . . . 0.0 111.644 177.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.8 m -72.74 -11.45 60.62 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -174.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.378 0 C-N-CA 126.705 2.002 . . . . 0.0 111.738 179.235 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.4 m . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.9 m -117.56 8.08 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -175.231 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.6 m -62.58 138.58 58.52 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.509 1.123 . . . . 0.0 112.768 -176.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -17.88 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -176.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.3 mt -139.62 152.11 46.53 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.478 1.911 . . . . 0.0 110.062 173.56 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 -65.82 -24.55 66.92 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.493 0.717 . . . . 0.0 112.827 173.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 60.8 p -81.89 1.7 33.88 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.492 1.917 . . . . 0.0 114.29 171.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.5 t 65.49 -39.35 0.28 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 128.487 2.715 . . . . 0.0 116.6 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.3 t -132.69 139.59 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.866 1.666 . . . . 0.0 110.416 -175.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -89.65 152.06 21.56 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.767 1.227 . . . . 0.0 111.543 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.7 p80 -64.62 -26.33 68.35 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 120.077 -1.639 . . . . 0.0 112.804 176.402 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.43 -25.63 68.1 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 170.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.39 -34.21 65.41 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.066 0.848 . . . . 0.0 111.502 172.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.1 t -66.11 -40.63 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.327 0.651 . . . . 0.0 110.737 170.294 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.32 -40.89 90.22 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.179 -0.95 . . . . 0.0 113.361 173.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -60.89 -38.88 87.2 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.379 -0.826 . . . . 0.0 111.644 170.492 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.79 94.37 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.173 0.897 . . . . 0.0 111.356 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.3 mt -56.81 -47.62 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 118.485 0.584 . . . . 0.0 111.113 169.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -65.87 -36.06 82.38 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.692 1.133 . . . . 0.0 113.579 176.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -63.68 -44.43 93.76 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.312 -0.867 . . . . 0.0 111.043 175.016 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.6 mt -62.58 -44.79 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.261 0.624 . . . . 0.0 111.033 172.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.1 tp -58.35 -42.17 86.29 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.802 0.841 . . . . 0.0 111.903 178.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.2 tpt85 -73.31 -38.06 65.98 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.043 0.937 . . . . 0.0 113.209 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -68.94 -39.96 79.27 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.858 0.863 . . . . 0.0 112.426 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.4 p -76.37 -14.88 60.06 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 172.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.3 t30 51.02 40.38 25.36 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.805 1.642 . . . . 0.0 112.723 -176.066 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 t -121.7 -174.64 2.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.225 1.01 . . . . 0.0 112.94 -171.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.1 t -99.23 150.86 21.65 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.739 1.216 . . . . 0.0 111.975 176.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.79 -33.14 73.58 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.244 1.018 . . . . 0.0 111.974 -173.693 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -63.58 -41.36 98.37 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.27 0.628 . . . . 0.0 111.593 175.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -70.8 -37.11 73.25 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.365 0.666 . . . . 0.0 111.733 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -63.24 -44.53 94.96 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.714 -0.616 . . . . 0.0 111.585 170.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.6 -45.11 95.48 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.874 0.761 . . . . 0.0 111.896 175.078 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -64.46 -37.46 87.6 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.54 -37.03 79.61 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.528 -0.733 . . . . 0.0 112.192 173.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.6 mmm -66.5 -43.11 86.21 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.175 -0.953 . . . . 0.0 111.748 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -66.01 -37.14 85.16 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.613 1.097 . . . . 0.0 112.118 174.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -63.63 -29.63 70.85 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.628 1.171 . . . . 0.0 113.3 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.6 p -105.24 -0.35 26.46 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -175.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.17 27.99 67.19 Favored Glycine 0 CA--C 1.536 1.401 0 O-C-N 121.515 -0.741 . . . . 0.0 113.745 -178.32 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.18 17.05 65.66 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.348 0.975 . . . . 0.0 114.865 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -83.17 94.44 7.86 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.271 1.535 . . . . 0.0 109.727 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.0 t -51.25 -44.57 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 124.22 1.008 . . . . 0.0 111.614 -176.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -59.95 -41.99 93.09 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.4 mt -75.3 -37.3 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.243 0.617 . . . . 0.0 109.71 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.48 -48.68 76.65 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.132 -0.98 . . . . 0.0 111.394 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.2 pt -68.44 -34.61 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 O-C-N 121.392 -0.817 . . . . 0.0 111.276 177.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.91 94.79 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 119.228 0.922 . . . . 0.0 112.604 170.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -65.65 -41.19 92.87 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.39 -0.819 . . . . 0.0 112.292 175.376 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.85 -45.53 94.14 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.385 0.993 . . . . 0.0 112.115 173.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.5 mt -69.21 -28.8 66.68 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.0 m -75.07 -37.05 61.73 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.597 0.759 . . . . 0.0 112.725 171.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -72.85 -37.45 67.41 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.939 1.296 . . . . 0.0 112.856 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 55.13 -167.28 0.09 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.077 1.751 . . . . 0.0 112.931 -173.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.8 t -142.02 149.18 39.66 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.741 1.216 . . . . 0.0 112.124 176.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.7 t -156.99 161.56 39.58 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.745 1.618 . . . . 0.0 111.324 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.8 -140.51 33.22 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 124.407 1.003 . . . . 0.0 113.613 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.98 13.69 78.85 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 124.184 0.897 . . . . 0.0 115.204 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.4 m -65.72 154.68 38.29 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.257 1.423 . . . . 0.0 113.03 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.03 -150.38 44.11 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.023 0.82 . . . . 0.0 113.636 -179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.75 -149.01 44.21 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.241 0.924 . . . . 0.0 113.677 -177.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.8 t -142.37 157.3 44.94 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.301 1.441 . . . . 0.0 112.157 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.253 0.5 OUTLIER -127.65 28.28 5.66 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.993 1.717 . . . . 0.0 114.076 179.696 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.9 mt -113.79 164.48 13.68 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.037 1.735 . . . . 0.0 112.513 -173.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.41 -165.81 53.17 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.442 1.02 . . . . 0.0 114.258 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -175.46 -166.55 33.25 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.011 1.291 . . . . 0.0 113.537 -177.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.1 t -144.85 144.99 31.41 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.905 1.282 . . . . 0.0 112.585 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -80.62 -3.2 90.2 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 125.01 1.29 . . . . 0.0 114.497 172.253 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -76.73 14.33 7.35 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 125.757 1.646 . . . . 0.0 116.455 -175.41 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.2 t -70.44 148.31 48.47 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.329 1.564 . . . . 0.0 112.73 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -80.02 162.02 25.1 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.454 1.502 . . . . 0.0 112.514 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -72.33 160.15 32.84 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.258 1.023 . . . . 0.0 110.369 168.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -79.26 66.3 4.68 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.491 1.117 . . . . 0.0 111.253 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.7 pp -77.36 154.75 32.46 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 -168.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 75.0 m -82.77 156.53 23.65 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.237 1.415 . . . . 0.0 112.079 172.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.4 m -99.34 0.04 10.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 -171.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 95.3 mttt 63.08 150.66 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 128.61 2.764 . . . . 0.0 116.088 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.05 -173.18 28.48 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.442 1.496 . . . . 0.0 114.311 -176.131 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 60.1 ttm -65.45 138.97 58.46 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.968 -0.725 . . . . 0.0 109.062 169.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.42 HD23 ' H ' ' A' ' 80' ' ' LEU . 2.3 pt? -129.59 152.93 48.57 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -169.297 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -147.11 157.51 43.63 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.22 1.408 . . . . 0.0 112.176 -177.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.08 -37.67 77.63 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.133 1.373 . . . . 0.0 114.016 -173.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.0 m -103.65 11.94 35.45 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.961 1.304 . . . . 0.0 114.305 -174.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -67.04 118.7 10.85 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.209 -0.932 . . . . 0.0 113.49 -170.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.3 p -58.51 -52.52 65.31 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.401 1.08 . . . . 0.0 113.71 -173.082 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -71.04 -34.48 71.3 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -177.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -75.47 -38.74 59.42 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.856 -1.152 . . . . 0.0 112.472 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.9 mm -60.31 -46.23 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 118.495 0.589 . . . . 0.0 109.451 169.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.69 -50.61 73.19 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.954 0.797 . . . . 0.0 112.499 175.021 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -61.68 -47.5 85.04 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.493 1.042 . . . . 0.0 111.5 -176.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.2 ttt-85 -68.99 -34.16 74.84 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 118.387 -0.816 . . . . 0.0 112.18 178.194 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.4 tp -67.16 -40.79 86.71 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.407 1.003 . . . . 0.0 111.847 173.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 36.8 ttt-85 -69.7 -40.68 76.18 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.776 0.83 . . . . 0.0 110.96 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -62.35 -53.14 59.4 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.961 0.504 . . . . 0.0 111.917 170.123 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -59.68 -32.97 70.98 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.878 1.271 . . . . 0.0 113.006 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 79.8 t -85.62 -38.49 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.149 0.979 . . . . 0.0 113.145 175.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.3 m -71.38 -32.72 68.79 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.19 0.904 . . . . 0.0 112.786 -178.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.39 175.96 41.14 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 124.323 0.963 . . . . 0.0 114.65 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.6 m -82.96 157.6 22.91 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.584 1.553 . . . . 0.0 112.467 174.459 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.9 t -145.51 153.24 40.9 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.508 1.123 . . . . 0.0 111.941 174.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -100.85 3.19 41.73 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.525 1.53 . . . . 0.0 113.826 178.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -139.41 168.61 19.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.057 1.343 . . . . 0.0 113.587 -175.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.3 m -70.78 154.15 42.11 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.139 0.976 . . . . 0.0 111.624 169.065 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.362 0 C-N-CA 125.905 1.682 . . . . 0.0 112.248 179.35 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 . . . . . 0 CA--C 1.542 0.653 0 CA-C-O 120.564 0.221 . . . . 0.0 111.15 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.8 t -67.73 -41.04 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 121.516 -0.74 . . . . 0.0 111.575 171.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.26 -41.75 97.46 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.512 -0.743 . . . . 0.0 112.298 172.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.41 -40.99 98.33 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.188 -0.945 . . . . 0.0 111.97 172.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.22 -41.68 94.18 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 121.704 -0.623 . . . . 0.0 111.738 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.5 mt -57.97 -48.14 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.877 0.871 . . . . 0.0 110.596 170.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.7 -40.97 89.67 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.492 0.717 . . . . 0.0 112.14 178.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -66.42 -31.46 72.23 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 173.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.4 mt -66.05 -40.96 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 119.627 1.103 . . . . 0.0 111.203 169.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.13 -44.41 94.95 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 120.128 1.331 . . . . 0.0 111.19 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -61.4 -45.16 95.51 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.541 1.536 . . . . 0.0 112.373 176.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -68.12 -40.33 82.55 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.316 1.046 . . . . 0.0 113.033 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.3 p -91.22 -2.31 57.51 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.0 t30 52.86 53.99 11.21 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.47 1.508 . . . . 0.0 112.083 -175.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.4 p -136.4 178.3 7.17 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.435 1.094 . . . . 0.0 113.772 -169.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.2 p -101.85 162.06 13.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.534 1.134 . . . . 0.0 111.455 169.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -61.92 -31.25 71.55 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 120.901 -1.125 . . . . 0.0 112.304 171.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -63.99 -45.78 87.51 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.19 0.905 . . . . 0.0 111.058 173.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -64.36 -39.17 93.34 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.085 0.554 . . . . 0.0 111.747 176.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -69.12 -38.56 78.94 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.708 -0.62 . . . . 0.0 112.378 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.83 -45.05 95.48 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.439 1.018 . . . . 0.0 110.958 173.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.66 -39.51 94.52 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 175.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.19 -41.21 94.8 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.795 -0.566 . . . . 0.0 112.06 174.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 66.9 mmm -65.35 -42.35 92.94 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.41 -0.807 . . . . 0.0 111.985 174.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -63.64 -39.22 93.81 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.359 0.664 . . . . 0.0 111.623 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 t -71.01 -29.5 65.47 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.178 0.991 . . . . 0.0 113.462 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.9 p -104.88 6.14 33.51 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -174.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.57 23.39 70.36 Favored Glycine 0 CA--C 1.537 1.439 0 O-C-N 121.28 -0.888 . . . . 0.0 114.711 176.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.13 7.14 87.36 Favored Glycine 0 CA--C 1.534 1.277 0 N-CA-C 115.769 1.067 . . . . 0.0 115.769 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -78.15 102.13 7.39 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.106 1.453 . . . . 0.0 110.186 174.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.6 t -52.63 -41.91 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.755 0.822 . . . . 0.0 111.872 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -60.88 -42.13 97.33 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 41.2 mt -74.53 -38.04 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.138 0.575 . . . . 0.0 109.524 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.12 -50.14 73.1 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.43 0.692 . . . . 0.0 111.448 177.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.7 pt -68.25 -34.84 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.518 -0.739 . . . . 0.0 111.407 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.56 -48.24 82.67 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.05 0.841 . . . . 0.0 112.909 172.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -68.05 -37.04 80.87 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.235 -0.916 . . . . 0.0 112.092 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.0 tp -68.69 -29.59 68.07 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.396 1.079 . . . . 0.0 112.692 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.0 mt . . . . . 0 N--CA 1.472 0.632 0 C-N-CA 124.082 0.953 . . . . 0.0 112.063 169.366 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.5 p . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 113.009 0.744 . . . . 0.0 113.009 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -70.67 -34.82 72.42 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.421 0.688 . . . . 0.0 112.566 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -68.85 -44.35 73.56 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.501 -0.749 . . . . 0.0 111.439 175.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.75 -49.23 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.118 0.567 . . . . 0.0 109.58 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.16 -42.25 94.53 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.825 0.739 . . . . 0.0 112.599 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -60.81 -50.34 73.82 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.46 1.027 . . . . 0.0 111.761 175.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -68.04 -34.4 76.39 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.903 0.774 . . . . 0.0 112.434 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 69.1 tp -66.97 -45.25 78.28 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.128 0.971 . . . . 0.0 112.022 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.1 ttm-85 -69.84 -37.49 76.17 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-O 118.423 -0.799 . . . . 0.0 111.206 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -69.74 -40.02 76.42 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.604 1.093 . . . . 0.0 112.108 174.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -60.66 -40.52 92.36 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-N 119.305 0.957 . . . . 0.0 112.597 172.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.5 t -79.91 -45.25 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.0 t . . . . . 0 CA--C 1.541 0.623 0 C-N-CA 123.342 0.657 . . . . 0.0 112.481 -172.088 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 N--CA 1.473 0.707 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.71 -41.15 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 O-C-N 121.487 -0.758 . . . . 0.0 110.693 169.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -65.62 -36.9 85.05 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.416 -0.802 . . . . 0.0 112.506 172.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -64.33 -40.26 95.54 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.06 -1.025 . . . . 0.0 111.819 172.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.57 -39.97 95.77 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.567 -0.708 . . . . 0.0 111.455 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.5 mt -58.71 -45.96 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.671 0.788 . . . . 0.0 111.044 169.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.58 -36.67 84.44 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.153 0.888 . . . . 0.0 112.438 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -65.59 -44.81 85.48 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.211 -0.931 . . . . 0.0 111.605 173.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 36.4 mt -60.81 -44.18 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 121.61 -0.681 . . . . 0.0 111.07 172.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.2 tp -60.16 -41.73 93.43 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.597 1.159 . . . . 0.0 111.989 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -73.85 -40.34 63.34 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.926 0.89 . . . . 0.0 112.854 175.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -62.09 -40.48 95.99 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.212 1.005 . . . . 0.0 112.63 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 77.2 p -80.17 -7.82 59.13 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 173.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.9 t30 50.85 44.53 28.1 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.015 1.726 . . . . 0.0 112.747 -176.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 t -118.34 -175.64 2.91 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -169.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.0 t -113.33 144.87 42.02 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.55 1.54 . . . . 0.0 110.088 171.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -66.17 -23.46 66.46 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 120.346 -1.471 . . . . 0.0 113.592 -171.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -65.1 -32.31 73.94 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 120.153 1.342 . . . . 0.0 112.852 169.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -73.1 -34.79 66.39 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.279 -0.888 . . . . 0.0 111.855 170.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -64.74 -37.55 87.99 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.719 0.69 . . . . 0.0 111.393 171.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.26 -47.71 83.14 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.023 -1.048 . . . . 0.0 111.754 170.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.99 -39.46 94.79 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.74 -43.65 79.43 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.726 0.81 . . . . 0.0 112.039 175.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.2 mmm -65.34 -41.51 93.83 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.137 -0.977 . . . . 0.0 111.65 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -71.51 -29.92 65.35 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.248 -0.907 . . . . 0.0 111.933 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.7 m -73.44 -24.42 60.23 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 172.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.1 p -110.35 4.5 20.78 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 -174.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.89 24.94 70.65 Favored Glycine 0 CA--C 1.533 1.213 0 O-C-N 121.384 -0.822 . . . . 0.0 113.829 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.02 9.55 86.55 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 115.877 1.111 . . . . 0.0 115.877 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.9 mmt-85 -73.99 104.19 4.75 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.104 1.452 . . . . 0.0 110.251 175.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.4 p -58.7 -38.03 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-N 118.626 0.648 . . . . 0.0 112.297 -174.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -61.73 -42.5 99.05 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 177.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.6 mt -75.04 -35.63 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.001 0.52 . . . . 0.0 109.987 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.35 -45.87 82.46 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.232 -0.917 . . . . 0.0 111.853 176.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.1 pt -68.16 -34.82 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 O-C-N 121.198 -0.939 . . . . 0.0 111.39 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.95 93.22 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.087 0.858 . . . . 0.0 112.539 170.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -67.01 -40.19 87.23 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 121.095 -1.003 . . . . 0.0 112.836 176.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.86 -42.61 99.25 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.152 0.581 . . . . 0.0 111.985 174.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.3 mt . . . . . 0 CA--C 1.542 0.668 0 C-N-CA 123.205 0.602 . . . . 0.0 112.602 175.891 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.7 m . . . . . 0 N--CA 1.478 0.932 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -71.23 -39.4 71.71 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.14 0.882 . . . . 0.0 113.014 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -70.23 -43.12 71.26 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.062 0.945 . . . . 0.0 111.817 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.3 mm -60.35 -47.51 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.217 1.007 . . . . 0.0 110.09 170.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 45.3 tp -56.56 -46.94 80.44 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 120.04 1.291 . . . . 0.0 111.611 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -57.87 -56.6 19.84 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.6 0.636 . . . . 0.0 111.004 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.6 tpp85 -69.12 -28.17 66.22 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 121.006 -1.059 . . . . 0.0 112.942 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.56 -47.34 70.09 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 120.965 -1.085 . . . . 0.0 111.0 175.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -61.47 -40.8 95.83 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 118.876 -0.583 . . . . 0.0 111.535 174.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -61.35 -47.78 84.31 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.239 0.927 . . . . 0.0 112.171 174.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -57.87 -46.26 85.13 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.007 0.923 . . . . 0.0 111.748 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.3 t -81.72 -38.38 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 122.999 0.52 . . . . 0.0 112.282 -172.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 69.1 m . . . . . 0 CA--C 1.543 0.7 0 CA-C-N 118.668 0.667 . . . . 0.0 112.486 173.395 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 . . . . . 0 N--CA 1.471 0.623 0 N-CA-C 111.574 0.212 . . . . 0.0 111.574 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.1 t -70.0 -42.95 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 123.258 0.623 . . . . 0.0 111.222 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.65 -43.67 98.42 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.911 0.885 . . . . 0.0 111.573 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -61.26 -42.99 99.58 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.952 0.901 . . . . 0.0 112.283 172.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.03 91.32 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.074 0.852 . . . . 0.0 111.978 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.6 mt -59.46 -47.89 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.701 0.8 . . . . 0.0 110.76 171.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.96 -34.35 77.57 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.822 0.737 . . . . 0.0 112.777 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -64.29 -41.88 96.66 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.095 -1.003 . . . . 0.0 111.988 173.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.4 mt -64.25 -44.0 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 118.718 0.69 . . . . 0.0 111.229 172.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.4 tp -57.6 -43.27 84.54 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.55 1.14 . . . . 0.0 111.654 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 tpp85 -71.44 -46.67 59.44 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.341 1.056 . . . . 0.0 112.404 176.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -59.68 -44.18 93.73 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.623 1.169 . . . . 0.0 112.836 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.3 p -83.13 -7.15 59.67 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.5 t30 54.1 59.34 4.29 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.311 1.444 . . . . 0.0 111.554 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.0 m -124.94 158.68 32.99 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -173.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.7 p -83.67 160.4 21.34 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.41 0.624 . . . . 0.0 110.024 168.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -66.17 -33.35 75.56 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 120.682 -1.261 . . . . 0.0 112.247 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -67.72 -35.52 78.92 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 118.798 -0.62 . . . . 0.0 112.586 171.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -64.62 -43.84 92.44 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.504 1.047 . . . . 0.0 111.672 172.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.75 -40.83 75.9 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.485 -0.76 . . . . 0.0 111.903 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -59.42 -48.1 82.92 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.72 -0.613 . . . . 0.0 111.059 172.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -61.47 -42.69 99.17 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.59 -36.71 84.71 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.688 -0.632 . . . . 0.0 112.2 175.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.8 mmm -73.32 -38.44 65.8 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.282 -0.886 . . . . 0.0 112.911 176.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -65.27 -40.87 94.49 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.399 1.0 . . . . 0.0 112.131 172.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.5 t -67.69 -22.04 65.3 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.174 0.99 . . . . 0.0 113.646 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.9 p -109.93 1.36 19.08 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.08 29.35 72.3 Favored Glycine 0 CA--C 1.537 1.454 0 O-C-N 121.465 -0.772 . . . . 0.0 113.899 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.9 12.73 79.22 Favored Glycine 0 N--CA 1.472 1.041 0 N-CA-C 115.551 0.98 . . . . 0.0 115.551 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -78.08 91.75 4.32 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 119.268 1.534 . . . . 0.0 109.628 175.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.7 t -53.31 -39.56 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.729 0.812 . . . . 0.0 111.907 -175.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.3 ptm85 -61.77 -41.98 98.4 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.474 1.033 . . . . 0.0 113.402 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.3 mt -75.33 -36.27 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 123.138 0.575 . . . . 0.0 109.83 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.72 -49.49 74.87 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.343 -0.848 . . . . 0.0 111.358 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.9 pt -66.55 -35.65 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 119.136 0.88 . . . . 0.0 111.544 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.48 -46.84 83.24 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.413 1.006 . . . . 0.0 112.223 170.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -66.57 -32.72 74.24 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.3 mt -72.06 -27.72 62.87 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 172.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 CA--C 1.543 0.707 0 C-N-CA 123.713 0.805 . . . . 0.0 112.704 174.085 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.0 p . . . . . 0 N--CA 1.471 0.588 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -70.8 -34.03 71.33 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.718 0.807 . . . . 0.0 111.728 177.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.62 -48.25 70.09 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.444 0.698 . . . . 0.0 111.734 177.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 49.9 mm -64.07 -43.65 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 121.601 -0.687 . . . . 0.0 110.544 174.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.42 -43.79 92.99 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 118.92 0.782 . . . . 0.0 111.762 177.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -61.53 -46.02 91.71 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.49 0.716 . . . . 0.0 111.667 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -65.61 -36.97 85.27 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.247 -0.908 . . . . 0.0 112.368 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 22.8 tp -69.93 -39.23 76.25 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.057 0.543 . . . . 0.0 112.129 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -60.05 -44.28 94.78 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.243 0.929 . . . . 0.0 110.988 173.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -63.57 -49.91 71.56 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 122.108 -0.37 . . . . 0.0 111.899 175.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -60.56 -42.67 97.1 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.603 0.761 . . . . 0.0 113.012 -178.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.4 t -91.1 -37.22 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.249 0.62 . . . . 0.0 112.638 -172.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.476 0.849 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -175.102 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 . . . . . 0 N--CA 1.472 0.631 0 N-CA-C 111.602 0.223 . . . . 0.0 111.602 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.5 t -65.64 -44.42 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.358 0.663 . . . . 0.0 110.76 174.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -63.51 -44.93 92.85 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.784 0.834 . . . . 0.0 111.88 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -63.26 -38.8 92.59 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.995 172.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.22 99.38 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 120.479 1.491 . . . . 0.0 111.925 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.4 mt -60.68 -48.79 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.413 0.685 . . . . 0.0 111.002 173.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.7 -29.59 65.92 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -68.91 -40.6 79.02 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.795 1.238 . . . . 0.0 111.436 170.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.5 mt -62.74 -44.1 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 118.959 0.8 . . . . 0.0 110.571 172.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.5 tp -57.27 -45.5 83.99 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.198 0.999 . . . . 0.0 111.833 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -63.76 -50.1 70.37 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.305 1.042 . . . . 0.0 112.691 173.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -61.67 -43.81 98.15 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.432 1.093 . . . . 0.0 112.729 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.8 p -76.85 -5.19 47.34 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.9 t30 54.18 35.29 22.15 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.366 1.067 . . . . 0.0 112.429 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.1 p -108.86 172.38 6.88 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.461 1.104 . . . . 0.0 113.439 -169.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -104.91 149.48 25.68 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.036 0.934 . . . . 0.0 109.991 168.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.18 -24.76 66.69 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.009 -1.057 . . . . 0.0 113.242 -170.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -60.57 -42.36 96.47 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.613 -0.679 . . . . 0.0 111.642 169.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -75.37 -30.73 60.28 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.667 -0.646 . . . . 0.0 112.436 176.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.06 -40.14 94.29 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.459 1.027 . . . . 0.0 111.303 170.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.03 -46.49 87.35 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.048 -1.033 . . . . 0.0 111.577 171.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.19 -40.71 96.95 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 177.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.21 -42.62 79.57 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.549 0.74 . . . . 0.0 111.76 177.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 78.6 mmm -65.28 -40.92 94.5 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.221 -0.924 . . . . 0.0 111.912 175.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.61 -34.84 72.56 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.254 -0.904 . . . . 0.0 112.203 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.1 m -73.05 -24.56 60.71 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.8 p -102.49 -0.99 31.42 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.69 26.07 68.26 Favored Glycine 0 CA--C 1.533 1.21 0 O-C-N 121.707 -0.621 . . . . 0.0 113.778 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.49 15.74 70.44 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-O 118.901 -0.944 . . . . 0.0 115.276 178.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -83.74 103.07 12.73 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.364 1.582 . . . . 0.0 110.363 174.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.1 t -53.61 -41.71 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.001 0.921 . . . . 0.0 111.319 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -59.65 -43.56 93.86 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.7 mt -75.56 -36.46 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.76 76.0 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.442 -0.787 . . . . 0.0 111.783 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.4 pt -66.59 -36.81 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.348 -0.845 . . . . 0.0 111.457 176.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.87 -49.62 76.09 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.864 0.756 . . . . 0.0 112.395 171.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -62.95 -39.49 94.78 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 121.265 -0.897 . . . . 0.0 112.4 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.3 mt -67.11 -39.66 86.72 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 N--CA 1.472 0.668 0 CA-C-N 119.203 0.91 . . . . 0.0 113.021 -177.514 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.7 p . . . . . 0 N--CA 1.475 0.792 0 N-CA-C 113.011 0.745 . . . . 0.0 113.011 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -67.95 -37.41 81.54 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.518 -0.739 . . . . 0.0 112.882 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -71.81 -39.21 70.01 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.307 -0.87 . . . . 0.0 111.564 176.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.8 mm -60.68 -46.71 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.619 0.768 . . . . 0.0 110.463 171.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.75 -46.03 90.4 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.913 0.778 . . . . 0.0 112.055 174.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -59.77 -52.12 66.81 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.624 0.647 . . . . 0.0 111.498 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -68.29 -31.82 71.53 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.72 -49.1 64.37 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.456 1.025 . . . . 0.0 111.033 174.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -65.42 -31.88 73.2 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.982 0.513 . . . . 0.0 111.763 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.86 -46.84 64.67 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.479 0.581 . . . . 0.0 112.161 171.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -55.62 -37.41 68.13 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.781 0.833 . . . . 0.0 112.78 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.0 t -92.95 -43.13 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 N--CA 1.473 0.692 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -168.633 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 N--CA 1.471 0.624 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.7 t -73.08 -42.58 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 121.66 -0.65 . . . . 0.0 110.256 174.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -60.07 -40.49 89.68 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.45 0.568 . . . . 0.0 112.328 172.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.6 -41.53 99.02 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.116 0.966 . . . . 0.0 112.061 172.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.18 -42.27 99.34 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.711 1.141 . . . . 0.0 111.958 176.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.0 mm -60.18 -48.63 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.004 0.521 . . . . 0.0 110.83 172.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -62.24 -34.44 76.51 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.744 0.817 . . . . 0.0 112.96 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -72.07 -41.52 67.27 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.99 -1.069 . . . . 0.0 112.018 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.0 mt -62.75 -44.9 99.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 118.887 0.767 . . . . 0.0 110.797 170.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.4 tp -55.65 -45.2 77.69 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.559 1.143 . . . . 0.0 111.841 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.7 mtm105 -69.57 -45.86 67.7 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.784 0.834 . . . . 0.0 112.864 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -60.56 -35.93 77.23 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.337 0.971 . . . . 0.0 112.378 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.4 p -86.85 -0.94 57.34 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 50.42 37.42 15.56 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.701 1.6 . . . . 0.0 112.912 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 84.9 p -114.31 175.72 5.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.44 1.096 . . . . 0.0 113.549 -168.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -104.79 150.61 24.65 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.678 0.791 . . . . 0.0 109.394 166.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.94 -22.27 66.66 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.628 -1.295 . . . . 0.0 114.02 -169.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -66.59 -34.28 77.53 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 121.368 -0.833 . . . . 0.0 112.592 169.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -72.12 -39.78 68.6 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.321 -0.862 . . . . 0.0 111.118 174.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -63.5 -41.65 98.54 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 122.708 0.403 . . . . 0.0 111.101 173.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.96 -49.3 77.25 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.498 0.719 . . . . 0.0 111.579 172.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.45 -39.76 94.41 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.51 87.18 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.436 0.694 . . . . 0.0 112.31 175.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.2 mmm -69.43 -41.16 76.69 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.185 -0.947 . . . . 0.0 111.944 174.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -64.16 -37.83 88.85 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.79 0.836 . . . . 0.0 111.442 176.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.9 m -72.5 -19.73 61.48 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 178.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.7 p -112.45 -0.19 15.37 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.643 1.177 . . . . 0.0 114.038 -176.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.71 28.25 69.48 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.277 -0.889 . . . . 0.0 113.47 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.27 14.36 76.81 Favored Glycine 0 CA--C 1.532 1.123 0 N-CA-C 115.496 0.958 . . . . 0.0 115.496 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.8 mmt-85 -76.95 93.0 3.72 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.33 1.565 . . . . 0.0 109.727 175.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.5 t -51.35 -44.9 32.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 124.155 0.982 . . . . 0.0 111.829 -174.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -60.04 -42.31 94.15 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 38.7 mt -74.6 -38.38 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 123.314 0.646 . . . . 0.0 109.865 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.96 -49.53 74.37 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.829 0.852 . . . . 0.0 111.436 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.9 pt -68.6 -36.3 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.599 -0.688 . . . . 0.0 110.903 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.72 -47.56 85.74 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.379 0.99 . . . . 0.0 113.104 174.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -69.01 -39.32 79.36 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.691 -0.631 . . . . 0.0 111.975 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.9 tp -66.75 -34.58 78.15 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.442 0.697 . . . . 0.0 112.72 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.6 mt . . . . . 0 N--CA 1.472 0.652 0 C-N-CA 123.885 0.874 . . . . 0.0 112.193 169.672 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.8 p . . . . . 0 N--CA 1.47 0.531 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -71.04 -43.13 68.49 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -174.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -67.04 -39.32 86.92 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.137 0.881 . . . . 0.0 112.139 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.85 -45.56 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 118.568 0.622 . . . . 0.0 110.905 174.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 57.9 tp -58.7 -47.02 85.97 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.666 -0.646 . . . . 0.0 111.731 174.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -60.95 -49.86 75.74 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.445 0.566 . . . . 0.0 111.264 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.1 tpp85 -65.21 -36.17 83.33 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.342 0.974 . . . . 0.0 112.614 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.6 tp -61.55 -45.97 91.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.194 0.906 . . . . 0.0 110.891 173.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -69.44 -38.12 77.68 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.231 0.612 . . . . 0.0 111.97 -176.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -60.4 -52.46 65.15 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.438 0.563 . . . . 0.0 110.719 170.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 19.0 ttt-85 -58.64 -43.77 89.85 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.384 1.074 . . . . 0.0 112.682 -176.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.2 p -94.83 -31.53 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -172.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 55.6 m . . . . . 0 N--CA 1.476 0.851 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -170.91 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 . . . . . 0 N--CA 1.471 0.598 0 CA-C-O 120.728 0.299 . . . . 0.0 111.271 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.6 t -76.38 -38.54 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.426 0.69 . . . . 0.0 111.205 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -60.03 -43.73 95.1 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.569 -0.707 . . . . 0.0 111.583 170.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.31 -43.11 98.75 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.365 0.666 . . . . 0.0 111.993 174.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.71 98.13 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.537 -0.727 . . . . 0.0 111.741 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.4 mt -59.72 -49.16 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-O 118.68 -0.676 . . . . 0.0 110.302 175.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.66 -39.3 83.99 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.11 0.868 . . . . 0.0 112.722 176.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.61 -45.87 90.86 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 118.617 0.644 . . . . 0.0 111.802 176.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.72 -42.4 95.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 118.352 0.524 . . . . 0.0 110.435 173.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.3 tp -60.01 -44.65 94.45 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.308 1.043 . . . . 0.0 111.872 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -76.04 -33.36 59.61 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 174.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -63.26 -40.93 98.78 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.983 0.81 . . . . 0.0 112.759 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.9 p -88.34 -11.08 47.33 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.4 t30 55.81 17.09 2.31 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 125.391 1.476 . . . . 0.0 114.039 -169.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 97.3 p -81.91 170.72 15.3 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.706 -1.246 . . . . 0.0 113.22 -174.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.9 p -88.61 159.74 17.74 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 167.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.89 -27.85 68.51 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.088 -1.632 . . . . 0.0 111.956 176.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -65.63 -43.86 88.22 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.591 -0.693 . . . . 0.0 111.805 170.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -62.79 -40.9 98.75 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.104 0.562 . . . . 0.0 111.449 174.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -67.08 -42.98 83.73 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.719 -0.613 . . . . 0.0 112.239 176.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.27 -45.33 94.95 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.941 0.791 . . . . 0.0 110.887 175.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.53 -39.92 95.69 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.59 0.756 . . . . 0.0 112.946 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.6 88.75 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.621 -0.674 . . . . 0.0 112.285 175.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.5 mmm -66.46 -42.84 86.97 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.26 -0.9 . . . . 0.0 111.915 173.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.6 -36.54 84.16 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.505 1.048 . . . . 0.0 112.418 172.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.9 m -70.76 -23.54 62.43 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.9 p -108.14 2.26 22.8 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -177.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.49 23.72 64.53 Favored Glycine 0 CA--C 1.535 1.342 0 O-C-N 121.755 -0.591 . . . . 0.0 114.138 177.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.28 58.68 3.3 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.078 0.847 . . . . 0.0 113.586 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.44 107.65 6.08 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.085 0.954 . . . . 0.0 111.021 177.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.04 -43.27 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -168.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -63.63 -37.89 89.03 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 119.901 1.228 . . . . 0.0 113.2 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.4 mm -73.01 -37.7 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.444 0.698 . . . . 0.0 110.006 177.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.7 -45.74 81.62 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.499 -0.751 . . . . 0.0 111.957 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 pt -68.88 -35.93 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 121.441 -0.787 . . . . 0.0 111.236 175.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.57 -45.82 88.21 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.231 0.923 . . . . 0.0 112.383 171.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -68.9 -33.95 74.61 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.9 mt -65.21 -37.8 88.42 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.305 0.502 . . . . 0.0 112.049 171.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.6 mt . . . . . 0 CA--C 1.54 0.566 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.317 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.6 m . . . . . 0 N--CA 1.473 0.722 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -71.85 -33.12 68.18 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.8 0.727 . . . . 0.0 112.372 175.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -70.13 -46.6 64.44 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.277 -0.889 . . . . 0.0 111.002 175.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.81 -47.41 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 123.409 0.684 . . . . 0.0 110.248 173.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.1 tp -58.99 -46.11 88.96 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 118.567 -0.73 . . . . 0.0 112.257 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -63.14 -44.14 96.37 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.981 1.264 . . . . 0.0 111.629 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -69.41 -35.17 75.47 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.012 -1.055 . . . . 0.0 112.976 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.5 tp -66.32 -36.52 83.13 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.534 -0.729 . . . . 0.0 111.525 172.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.1 ttp85 -66.0 -41.93 90.4 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.649 1.18 . . . . 0.0 110.648 174.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -59.34 -52.61 64.89 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.165 0.893 . . . . 0.0 111.097 172.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 64.8 mtp85 -62.55 -39.66 94.33 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.033 0.933 . . . . 0.0 112.959 -176.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.5 t -83.54 -47.92 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.376 0.671 . . . . 0.0 112.018 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 81.5 p . . . . . 0 N--CA 1.476 0.829 0 CA-C-N 119.508 1.049 . . . . 0.0 112.247 -177.972 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 . . . . . 0 N--CA 1.471 0.597 0 N-CA-C 111.5 0.185 . . . . 0.0 111.5 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 t -72.28 -39.14 63.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.294 0.638 . . . . 0.0 111.051 176.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.54 -44.5 96.93 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.2 0.6 . . . . 0.0 111.98 173.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.87 -41.36 99.35 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.972 0.909 . . . . 0.0 112.235 173.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.96 96.71 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 118.962 0.801 . . . . 0.0 111.576 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.5 mt -60.22 -46.39 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 123.804 0.842 . . . . 0.0 111.016 172.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -34.88 78.82 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.458 -0.776 . . . . 0.0 112.843 178.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -65.67 -40.86 92.84 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.757 0.823 . . . . 0.0 111.996 173.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.2 mt -64.97 -45.47 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-N 118.823 0.738 . . . . 0.0 111.021 172.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.8 tp -56.08 -44.48 79.0 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.486 1.114 . . . . 0.0 111.524 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -70.09 -46.29 65.19 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.078 0.951 . . . . 0.0 112.56 176.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -58.86 -41.52 87.22 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.31 1.044 . . . . 0.0 112.512 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.2 p -86.57 -1.83 57.98 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 51.0 33.33 8.76 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.394 1.477 . . . . 0.0 113.15 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.2 p -101.82 174.62 5.87 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.854 1.262 . . . . 0.0 113.921 -168.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.2 p -92.01 155.09 18.36 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.388 0.675 . . . . 0.0 110.018 168.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.426 ' HB3' HG22 ' A' ' 96' ' ' VAL . 38.5 mt-10 -64.45 -31.91 73.31 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.115 -0.99 . . . . 0.0 112.355 178.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -67.72 -40.02 84.28 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 122.042 -0.411 . . . . 0.0 111.8 174.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -67.29 -39.91 86.06 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.664 0.665 . . . . 0.0 111.935 175.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -65.97 -43.31 88.26 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.936 0.789 . . . . 0.0 112.139 174.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.76 -44.57 93.8 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.671 -0.643 . . . . 0.0 111.445 174.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -65.71 -40.67 92.47 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.63 -41.87 99.27 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.208 0.603 . . . . 0.0 111.691 174.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 69.5 mmm -67.67 -38.02 83.18 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.892 0.877 . . . . 0.0 112.804 174.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -64.79 -42.12 95.3 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.859 0.754 . . . . 0.0 111.529 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.7 p -69.14 -24.48 64.09 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.4 p -102.62 -3.6 26.42 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.936 1.294 . . . . 0.0 113.869 -178.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.11 27.38 72.07 Favored Glycine 0 CA--C 1.537 1.418 0 O-C-N 121.579 -0.7 . . . . 0.0 113.645 -177.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.06 14.24 72.59 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 115.351 0.9 . . . . 0.0 115.351 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -77.72 93.23 4.25 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.573 1.686 . . . . 0.0 109.618 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.5 t -53.48 -42.04 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 123.935 0.894 . . . . 0.0 112.28 -170.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -61.96 -41.59 98.17 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.485 1.039 . . . . 0.0 113.447 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.6 mt -74.17 -36.81 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 123.351 0.66 . . . . 0.0 109.563 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.77 -48.34 74.88 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.456 0.702 . . . . 0.0 111.525 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.7 pt -68.58 -35.57 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 119.121 0.873 . . . . 0.0 111.473 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.18 87.43 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.893 0.769 . . . . 0.0 112.859 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -66.23 -42.58 88.45 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.959 0.904 . . . . 0.0 112.058 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.9 tp -63.61 -29.48 70.72 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.166 0.986 . . . . 0.0 112.152 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.8 mt . . . . . 0 N--CA 1.471 0.609 0 C-N-CA 123.733 0.813 . . . . 0.0 112.904 169.688 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.4 p . . . . . 0 N--CA 1.471 0.596 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -71.48 -38.52 71.2 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.222 0.609 . . . . 0.0 112.423 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -65.0 -46.13 82.66 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.127 0.876 . . . . 0.0 111.897 177.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 mp -68.76 -41.66 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.564 -0.71 . . . . 0.0 110.394 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.8 tp -57.88 -45.18 86.77 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 118.888 0.767 . . . . 0.0 111.892 173.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -61.58 -47.14 86.85 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.637 0.653 . . . . 0.0 111.532 176.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -36.03 82.64 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.602 0.637 . . . . 0.0 112.312 177.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.6 tp -68.65 -39.76 80.53 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.746 -0.596 . . . . 0.0 111.7 173.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 57.8 ttm-85 -63.58 -39.4 94.28 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.244 0.929 . . . . 0.0 111.273 176.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -61.83 -52.69 63.14 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.26 0.482 . . . . 0.0 111.334 171.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -60.16 -40.54 90.28 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.706 0.802 . . . . 0.0 113.093 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.426 HG22 ' HB3' ' A' ' 29' ' ' GLU . 27.0 t -95.2 -33.46 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.569 0.748 . . . . 0.0 113.0 -172.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.476 0.833 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -170.374 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 . . . . . 0 N--CA 1.475 0.81 0 N-CA-C 111.948 0.351 . . . . 0.0 111.948 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.9 t -69.41 -41.36 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.783 0.833 . . . . 0.0 110.638 175.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.23 -40.43 94.06 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.574 0.75 . . . . 0.0 112.775 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -63.26 -41.48 99.04 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.914 0.885 . . . . 0.0 111.588 172.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.38 94.83 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 118.793 0.724 . . . . 0.0 111.903 176.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.1 mt -58.73 -48.63 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.648 0.779 . . . . 0.0 111.137 171.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -67.03 -38.29 85.65 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.513 0.597 . . . . 0.0 111.768 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.46 -43.54 93.17 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.104 -0.998 . . . . 0.0 111.76 173.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.4 mt -63.53 -44.99 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 118.853 0.751 . . . . 0.0 111.005 173.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.7 tp -56.86 -47.53 80.2 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.521 1.129 . . . . 0.0 111.952 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -74.88 -37.46 62.15 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 118.887 -0.577 . . . . 0.0 112.336 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -64.58 -41.34 96.33 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 118.965 0.802 . . . . 0.0 112.611 178.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.5 p -83.44 -5.92 59.3 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 175.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.3 t30 51.35 45.57 27.76 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.663 1.585 . . . . 0.0 112.573 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.2 p -112.83 172.86 6.68 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.002 1.321 . . . . 0.0 113.724 -169.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.4 p -91.95 153.68 19.32 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.579 0.752 . . . . 0.0 110.38 169.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.71 -36.4 83.5 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.233 -0.917 . . . . 0.0 111.321 -177.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -66.82 -36.26 81.96 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 173.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -71.7 -33.75 69.04 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.435 1.016 . . . . 0.0 112.381 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -67.15 -43.92 81.1 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.752 0.706 . . . . 0.0 111.436 170.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.36 -43.37 96.6 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.227 -0.921 . . . . 0.0 111.375 174.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.58 -40.42 96.85 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.145 0.578 . . . . 0.0 112.304 174.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.78 85.04 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.6 -0.687 . . . . 0.0 112.146 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.6 mmm -67.84 -42.42 81.46 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.383 -0.823 . . . . 0.0 112.326 172.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -65.07 -36.93 85.89 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.658 1.117 . . . . 0.0 112.384 174.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.8 t -66.2 -26.91 67.61 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.312 1.045 . . . . 0.0 113.148 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.5 p -111.71 3.31 17.72 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -173.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.08 23.99 72.84 Favored Glycine 0 CA--C 1.533 1.19 0 O-C-N 121.668 -0.645 . . . . 0.0 113.693 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.76 8.05 83.3 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 118.328 -1.262 . . . . 0.0 116.007 175.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.9 mtt85 -78.12 110.66 13.29 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 120.011 1.906 . . . . 0.0 110.495 173.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.6 t -59.29 -38.69 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-O 118.591 -0.719 . . . . 0.0 111.677 -176.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -60.49 -44.07 96.34 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 119.752 1.16 . . . . 0.0 113.478 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.1 mm -76.37 -34.93 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 122.602 0.361 . . . . 0.0 110.133 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.12 -49.97 73.76 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.53 -0.731 . . . . 0.0 111.241 174.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.5 pt -67.7 -33.32 61.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 119.365 0.984 . . . . 0.0 111.721 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.61 -47.74 83.32 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.173 0.897 . . . . 0.0 112.597 171.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -69.28 -38.67 78.45 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.932 -1.105 . . . . 0.0 112.669 175.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.0 tp -63.19 -34.17 77.06 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.389 1.076 . . . . 0.0 112.247 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 CA--C 1.54 0.563 0 C-N-CA 124.229 1.012 . . . . 0.0 113.004 171.119 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.472 0.637 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -71.96 -32.41 67.25 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.511 1.05 . . . . 0.0 112.871 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -62.94 -48.01 80.74 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 118.937 0.789 . . . . 0.0 111.428 172.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.0 mm -61.98 -43.03 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.05 0.94 . . . . 0.0 110.567 175.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 66.6 tp -59.79 -47.76 84.39 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.434 1.015 . . . . 0.0 112.173 174.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -57.29 -53.85 53.46 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.06 0.846 . . . . 0.0 111.561 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -67.0 -36.37 82.01 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 118.075 -0.964 . . . . 0.0 112.123 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 34.4 tp -68.95 -41.14 78.4 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 120.383 1.447 . . . . 0.0 111.378 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 50.7 ttt85 -69.4 -37.27 77.42 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.598 0.635 . . . . 0.0 111.389 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -66.54 -48.93 68.14 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.302 0.501 . . . . 0.0 111.78 170.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -61.04 -37.36 82.35 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.5 1.12 . . . . 0.0 113.466 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.1 t -93.66 -38.15 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -176.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.475 0.79 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -168.945 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 . . . . . 0 N--CA 1.468 0.456 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.1 t -72.69 -33.35 44.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 121.448 -0.783 . . . . 0.0 111.987 175.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.7 -41.74 95.81 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 120.809 -1.182 . . . . 0.0 112.092 171.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -61.46 -42.82 99.36 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.951 0.5 . . . . 0.0 111.991 170.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.47 -42.34 98.6 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.57 -0.706 . . . . 0.0 112.009 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.2 mt -61.66 -45.79 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.21 1.004 . . . . 0.0 111.166 174.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.95 -39.63 94.58 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.21 0.914 . . . . 0.0 112.781 176.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -62.79 -43.76 97.95 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.421 -0.8 . . . . 0.0 111.281 174.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.6 mt -63.37 -45.9 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.437 0.695 . . . . 0.0 111.575 174.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.7 tp -56.9 -45.1 82.86 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.872 1.269 . . . . 0.0 111.417 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 -72.86 -41.34 64.87 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 175.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -61.68 -40.73 96.01 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.014 0.925 . . . . 0.0 112.872 177.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.0 p -80.92 -8.92 59.86 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 174.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 52.64 33.83 14.56 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.635 1.574 . . . . 0.0 113.239 -173.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.8 p -100.17 173.31 6.69 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.51 1.124 . . . . 0.0 113.165 -173.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.9 p -98.78 158.09 15.86 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.944 0.898 . . . . 0.0 110.259 168.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.4 -33.73 74.18 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.075 -1.015 . . . . 0.0 112.267 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -68.07 -39.2 83.0 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.36 0.664 . . . . 0.0 112.083 173.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -69.09 -36.84 78.04 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.653 -0.654 . . . . 0.0 112.018 174.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.26 -39.56 82.18 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.233 -0.917 . . . . 0.0 111.757 174.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.74 -48.68 80.36 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.426 -0.796 . . . . 0.0 111.742 170.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.19 -41.44 96.82 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 177.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.0 -39.93 90.71 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.341 0.657 . . . . 0.0 112.295 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 79.1 mmm -67.06 -43.86 81.6 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.254 -0.904 . . . . 0.0 111.941 174.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.9 -37.58 84.64 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.371 0.987 . . . . 0.0 112.286 176.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.1 t -71.11 -27.45 63.6 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.29 1.036 . . . . 0.0 113.449 177.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.8 p -98.52 -2.41 38.85 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.75 25.02 75.03 Favored Glycine 0 CA--C 1.536 1.351 0 O-C-N 121.341 -0.849 . . . . 0.0 113.815 -177.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.69 7.05 79.23 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 116.081 1.192 . . . . 0.0 116.081 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -74.14 89.5 1.99 Allowed 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 118.711 1.255 . . . . 0.0 109.791 173.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.5 p -56.62 -35.3 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.794 0.838 . . . . 0.0 113.023 -172.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -60.78 -40.55 93.01 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.121 0.873 . . . . 0.0 113.337 173.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.6 mt -73.9 -36.09 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 122.944 0.497 . . . . 0.0 109.915 176.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.06 -47.14 81.29 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.2 -0.937 . . . . 0.0 111.738 177.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.0 pt -68.06 -37.76 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.396 -0.815 . . . . 0.0 111.343 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.84 91.86 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.917 0.78 . . . . 0.0 112.622 171.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -67.63 -39.33 84.65 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.469 1.108 . . . . 0.0 112.131 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.94 -38.58 83.0 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.511 0.725 . . . . 0.0 112.383 174.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 80.3 mt . . . . . 0 N--CA 1.474 0.731 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 175.497 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.5 p . . . . . 0 N--CA 1.471 0.592 0 N-CA-C 112.997 0.74 . . . . 0.0 112.997 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -63.97 -43.34 96.05 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.216 0.916 . . . . 0.0 111.809 168.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -66.08 -39.23 89.86 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 118.469 -0.777 . . . . 0.0 112.585 174.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.7 mm -60.87 -49.56 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-N 119.477 1.035 . . . . 0.0 110.11 172.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.47 -44.14 96.21 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.91 0.777 . . . . 0.0 111.524 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -62.84 -47.0 85.29 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.8 0.727 . . . . 0.0 111.466 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -41.88 99.6 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 121.286 -0.884 . . . . 0.0 111.779 177.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.06 -49.48 61.08 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.344 1.058 . . . . 0.0 111.744 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -61.6 -42.4 98.81 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.631 0.773 . . . . 0.0 111.426 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -69.67 -39.8 76.79 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.716 -0.615 . . . . 0.0 112.236 176.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.9 ttt-85 -58.36 -44.53 88.84 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.834 0.854 . . . . 0.0 112.629 174.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.3 t -87.74 -38.65 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -174.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -171.621 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 . . . . . 0 N--CA 1.47 0.546 0 N-CA-C 111.198 0.073 . . . . 0.0 111.198 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -74.45 -35.53 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 122.927 0.491 . . . . 0.0 111.803 175.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -60.89 -46.56 90.15 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.086 0.857 . . . . 0.0 112.099 171.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -64.36 -40.39 95.76 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.086 0.954 . . . . 0.0 112.38 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.54 -42.86 95.44 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.073 0.851 . . . . 0.0 111.85 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.1 mt -62.2 -47.77 91.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.701 0.8 . . . . 0.0 110.764 174.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.76 -39.94 95.73 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.089 0.858 . . . . 0.0 112.823 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -64.27 -44.75 90.77 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.3 -0.875 . . . . 0.0 111.92 175.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.8 mt -63.3 -44.68 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 118.72 0.691 . . . . 0.0 110.806 174.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 42.2 tp -56.19 -45.55 79.74 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.445 1.098 . . . . 0.0 111.85 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -73.12 -43.97 60.89 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.455 0.702 . . . . 0.0 112.641 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -61.91 -39.33 91.62 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.921 0.888 . . . . 0.0 112.732 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.6 p -80.85 -5.88 57.88 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.4 t30 50.83 38.94 21.13 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.376 1.471 . . . . 0.0 113.124 -178.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.9 m -118.74 171.61 8.08 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.847 1.259 . . . . 0.0 112.771 -170.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.3 p -87.88 161.89 17.24 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.471 0.709 . . . . 0.0 110.935 170.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -65.61 -31.15 72.02 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.117 -0.99 . . . . 0.0 111.622 175.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -67.92 -43.0 80.2 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.639 -0.663 . . . . 0.0 112.089 172.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -64.13 -38.92 92.79 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.781 0.719 . . . . 0.0 111.626 174.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -64.29 -44.57 91.23 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.309 0.504 . . . . 0.0 111.733 174.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.82 -44.42 96.94 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.951 0.796 . . . . 0.0 111.657 174.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.04 -39.86 95.03 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.48 -41.82 88.39 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.744 -0.598 . . . . 0.0 112.128 175.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.0 mmm -62.11 -43.07 99.63 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.614 -0.679 . . . . 0.0 111.543 173.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -64.82 -42.43 94.98 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.332 -0.855 . . . . 0.0 111.987 175.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.1 t -67.45 -32.4 73.24 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.238 1.015 . . . . 0.0 113.221 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.6 p -97.9 3.08 49.77 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.34 21.35 64.91 Favored Glycine 0 CA--C 1.533 1.21 0 O-C-N 121.353 -0.842 . . . . 0.0 114.289 174.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.41 -2.95 83.65 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 116.115 1.206 . . . . 0.0 116.115 174.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -75.92 108.53 8.86 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.492 1.646 . . . . 0.0 110.425 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.0 p -61.14 -36.14 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -171.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -62.1 -40.3 95.41 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 121.24 -0.913 . . . . 0.0 113.305 175.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.0 mt -74.96 -35.37 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.648 0.779 . . . . 0.0 109.865 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.97 77.88 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.496 -0.753 . . . . 0.0 112.05 175.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 pt -67.74 -35.24 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 121.208 -0.933 . . . . 0.0 111.348 176.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.33 -42.94 92.62 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.34 0.973 . . . . 0.0 112.854 169.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -66.36 -35.5 80.5 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.785 0.834 . . . . 0.0 112.744 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.2 mt -72.57 -36.52 68.21 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 175.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.5 mt . . . . . 0 N--CA 1.473 0.724 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -175.837 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 N--CA 1.472 0.643 0 N-CA-C 112.084 0.401 . . . . 0.0 112.084 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -71.4 -32.44 68.43 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.171 -0.956 . . . . 0.0 112.991 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -64.48 -47.15 80.04 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.002 0.819 . . . . 0.0 111.501 173.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.0 mm -62.51 -44.26 99.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.521 0.728 . . . . 0.0 110.162 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 58.6 tp -58.15 -53.78 54.39 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.374 0.988 . . . . 0.0 112.204 176.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -68.07 -40.49 82.73 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.751 0.705 . . . . 0.0 111.567 -174.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -65.2 -35.29 80.59 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.969 0.804 . . . . 0.0 112.26 173.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 26.3 tp -70.79 -36.07 72.84 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.448 1.022 . . . . 0.0 112.275 175.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -62.79 -45.83 90.84 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.063 0.945 . . . . 0.0 111.134 173.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -61.53 -50.48 72.51 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 117.923 0.329 . . . . 0.0 111.475 174.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.9 ttt85 -60.04 -41.13 91.63 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.907 1.283 . . . . 0.0 113.796 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.6 t -96.94 -34.53 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.611 0.765 . . . . 0.0 112.464 -173.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.2 m . . . . . 0 N--CA 1.477 0.896 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -172.874 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 . . . . . 0 CA--C 1.541 0.615 0 N-CA-C 112.089 0.403 . . . . 0.0 112.089 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.9 t -67.34 -47.67 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.648 0.779 . . . . 0.0 112.027 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -68.57 -37.16 79.65 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.473 -0.767 . . . . 0.0 112.333 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -62.36 -42.13 99.16 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.866 0.867 . . . . 0.0 112.151 169.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.11 -38.75 92.19 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 118.786 0.721 . . . . 0.0 111.602 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.7 mt -59.12 -47.78 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.721 0.809 . . . . 0.0 111.211 172.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.24 -35.31 80.09 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.699 1.136 . . . . 0.0 113.693 175.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -63.64 -44.37 94.08 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.273 -0.892 . . . . 0.0 111.015 175.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 53.9 mt -63.72 -43.83 98.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.671 0.788 . . . . 0.0 111.18 173.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.0 tp -58.41 -43.31 88.56 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.608 0.763 . . . . 0.0 112.059 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -68.64 -47.11 67.42 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.08 0.952 . . . . 0.0 112.375 175.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -62.34 -41.07 98.26 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.15 0.98 . . . . 0.0 113.233 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.7 p -84.63 -11.13 56.55 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 52.02 41.33 29.72 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.515 1.526 . . . . 0.0 113.065 174.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.0 t -131.26 -176.09 3.91 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.786 1.234 . . . . 0.0 111.936 178.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.4 p -85.15 161.05 19.8 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.626 0.77 . . . . 0.0 112.568 -176.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.13 -33.92 77.18 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 121.294 -0.879 . . . . 0.0 111.259 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -64.74 -46.65 81.32 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 118.864 -0.588 . . . . 0.0 111.341 172.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -64.43 -32.14 73.63 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.257 0.935 . . . . 0.0 112.627 177.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.41 -44.07 75.84 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.163 0.892 . . . . 0.0 112.101 171.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.04 -43.43 98.9 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.081 0.855 . . . . 0.0 111.412 174.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.67 -41.84 98.12 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.298 1.039 . . . . 0.0 112.8 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.84 -39.67 87.71 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.19 0.596 . . . . 0.0 111.963 175.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.0 mmm -65.95 -42.68 89.68 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.701 0.8 . . . . 0.0 112.142 174.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -65.54 -38.78 90.62 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.506 -0.746 . . . . 0.0 111.883 175.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -70.07 -20.72 63.21 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.4 p -113.54 3.59 15.8 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.08 26.13 64.98 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 123.791 0.71 . . . . 0.0 114.272 175.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.07 8.99 86.74 Favored Glycine 0 CA--C 1.535 1.305 0 N-CA-C 115.718 1.047 . . . . 0.0 115.718 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -78.41 99.77 6.54 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.956 1.378 . . . . 0.0 109.774 174.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 67.0 t -54.59 -42.06 58.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 123.789 0.836 . . . . 0.0 111.886 -172.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -61.25 -41.76 97.47 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.249 0.931 . . . . 0.0 113.376 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.2 mt -74.16 -37.33 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.347 0.659 . . . . 0.0 109.753 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.27 -49.61 73.41 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.668 0.787 . . . . 0.0 111.842 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 pt -68.58 -35.42 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-O 118.668 -0.682 . . . . 0.0 111.178 177.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.48 -46.08 91.42 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.473 1.033 . . . . 0.0 112.835 171.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -66.36 -40.39 89.76 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 121.357 -0.84 . . . . 0.0 111.851 177.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.4 tp -68.13 -34.75 76.93 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.012 0.925 . . . . 0.0 112.807 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 70.9 mt . . . . . 0 N--CA 1.473 0.69 0 C-N-CA 123.743 0.817 . . . . 0.0 112.468 170.28 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.0 p . . . . . 0 N--CA 1.476 0.872 0 CA-C-O 121.244 0.545 . . . . 0.0 112.257 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -71.62 -31.76 67.24 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.163 0.985 . . . . 0.0 112.129 172.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -65.22 -41.56 94.3 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.928 1.24 . . . . 0.0 112.229 171.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.2 -47.13 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 119.389 0.995 . . . . 0.0 109.921 172.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 58.5 tp -55.77 -47.05 77.7 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.84 0.746 . . . . 0.0 112.175 174.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -61.61 -50.54 72.15 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.511 0.724 . . . . 0.0 111.519 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -64.4 -36.38 83.97 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.295 -0.878 . . . . 0.0 112.029 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.7 tp -65.78 -40.93 92.44 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.313 0.96 . . . . 0.0 111.557 174.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.5 ttp180 -63.09 -48.92 76.56 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.73 0.696 . . . . 0.0 111.195 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -66.6 -42.79 86.37 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.448 0.567 . . . . 0.0 111.735 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -62.3 -39.17 92.11 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.121 0.968 . . . . 0.0 112.879 177.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.0 t -83.89 -48.2 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.553 0.741 . . . . 0.0 112.512 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 N--CA 1.472 0.637 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -172.861 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 . . . . . 0 N--CA 1.47 0.55 0 N-CA-C 112.326 0.491 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.6 t -71.13 -45.46 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.208 0.603 . . . . 0.0 110.636 174.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.19 -41.44 97.07 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.844 -0.535 . . . . 0.0 112.289 175.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -61.47 -42.6 99.03 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.654 0.781 . . . . 0.0 111.831 173.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.5 -40.29 85.19 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.805 0.729 . . . . 0.0 112.25 176.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.2 mt -58.54 -48.74 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 123.535 0.734 . . . . 0.0 110.207 171.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -69.31 -34.62 74.95 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.022 0.828 . . . . 0.0 113.157 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -60.26 -51.68 68.51 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.35 0.66 . . . . 0.0 110.786 169.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 55.7 mt -59.45 -44.3 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 118.632 0.651 . . . . 0.0 111.148 176.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.8 tp -57.14 -44.97 83.88 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.743 1.217 . . . . 0.0 112.18 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.3 mtm105 -73.29 -41.19 63.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.651 0.78 . . . . 0.0 113.098 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -63.99 -36.39 83.83 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.501 1.046 . . . . 0.0 112.583 177.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.1 p -82.47 -9.71 59.32 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 173.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.4 t30 50.34 46.14 25.39 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.31 1.444 . . . . 0.0 112.279 -172.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.9 t -114.47 176.44 5.05 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.541 1.136 . . . . 0.0 112.949 -169.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 t -111.22 150.31 29.73 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.993 1.317 . . . . 0.0 110.281 168.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -64.23 -27.73 69.26 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.913 -1.117 . . . . 0.0 112.759 -169.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -65.71 -42.5 91.05 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.388 -0.82 . . . . 0.0 112.233 171.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -72.1 -33.54 67.93 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.541 -0.725 . . . . 0.0 112.068 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -63.28 -43.85 96.74 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.643 -0.661 . . . . 0.0 111.048 171.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -62.74 -43.6 98.38 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.273 -0.892 . . . . 0.0 111.545 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.95 -41.05 95.54 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.16 -40.37 90.47 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.333 0.653 . . . . 0.0 112.184 175.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 82.3 mmm -63.5 -44.39 94.48 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.414 -0.804 . . . . 0.0 111.74 173.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.72 -41.2 99.03 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.005 0.82 . . . . 0.0 111.946 176.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.1 t -66.54 -30.52 70.85 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.028 0.931 . . . . 0.0 113.412 176.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.6 p -101.84 5.28 41.0 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -177.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.53 21.45 69.4 Favored Glycine 0 CA--C 1.537 1.413 0 O-C-N 121.245 -0.909 . . . . 0.0 114.567 175.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.52 6.65 83.26 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 124.482 1.039 . . . . 0.0 114.615 -178.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.0 mtt85 -77.3 97.04 4.74 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.24 1.52 . . . . 0.0 110.846 174.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.6 p -53.88 -37.75 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 123.51 0.724 . . . . 0.0 112.561 178.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -60.79 -42.58 97.86 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.245 0.93 . . . . 0.0 113.417 176.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.2 mm -78.93 -33.89 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.337 0.655 . . . . 0.0 110.82 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.82 -50.27 72.99 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.436 -0.79 . . . . 0.0 111.198 174.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.3 pt -68.69 -34.47 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 121.417 -0.802 . . . . 0.0 111.611 177.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.72 -44.12 90.34 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.307 0.958 . . . . 0.0 112.544 169.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -67.02 -30.81 71.0 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.156 0.982 . . . . 0.0 113.2 176.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.22 -36.82 74.8 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.708 0.685 . . . . 0.0 112.589 169.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.3 mt . . . . . 0 CA--C 1.544 0.735 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -173.36 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.1 p . . . . . 0 N--CA 1.469 0.504 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -70.37 -45.46 65.99 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -167.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -66.63 -44.42 82.05 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.754 1.161 . . . . 0.0 111.039 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 42.8 mm -59.35 -49.73 82.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.055 0.942 . . . . 0.0 110.475 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.83 -45.99 83.81 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.664 0.666 . . . . 0.0 111.48 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -61.25 -49.86 75.38 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.486 1.039 . . . . 0.0 111.341 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.6 tpp85 -70.53 -31.53 68.63 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.576 1.08 . . . . 0.0 113.085 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.0 tp -67.96 -40.18 83.23 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.16 0.891 . . . . 0.0 111.881 172.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.3 ttp85 -65.19 -42.61 93.43 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.691 1.196 . . . . 0.0 110.966 175.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -60.99 -51.72 68.04 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.376 0.535 . . . . 0.0 111.019 175.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -61.44 -41.43 97.19 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.4 t -86.78 -39.61 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -174.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 CA--C 1.544 0.724 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -169.884 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 CA--C 1.543 0.679 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 m -71.11 -32.3 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 CA-C-N 119.571 1.078 . . . . 0.0 113.161 173.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -68.51 -39.7 81.13 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.804 1.184 . . . . 0.0 112.557 172.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -60.89 -43.01 99.09 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.344 -0.848 . . . . 0.0 111.258 169.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.78 98.26 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.791 -0.568 . . . . 0.0 111.801 176.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.0 mt -58.08 -45.81 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.037 0.935 . . . . 0.0 111.415 170.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -36.75 83.58 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.394 0.997 . . . . 0.0 112.592 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -67.88 -40.3 83.59 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.208 -0.933 . . . . 0.0 111.732 173.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.3 mt -62.28 -45.15 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.398 0.679 . . . . 0.0 110.754 172.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.7 tp -58.56 -44.76 89.83 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.719 1.208 . . . . 0.0 111.814 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.7 mtt-85 -69.5 -41.56 75.91 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.521 0.728 . . . . 0.0 112.779 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -65.21 -45.51 84.45 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.175 0.99 . . . . 0.0 112.812 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.7 p -75.31 -13.44 60.42 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.295 13.9 p30 51.27 33.87 10.52 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.664 1.586 . . . . 0.0 114.334 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.1 m -114.74 173.35 6.52 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.273 1.429 . . . . 0.0 111.978 177.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.5 p -79.31 160.57 26.72 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.543 0.687 . . . . 0.0 111.593 174.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -64.37 -31.28 72.42 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.459 -0.775 . . . . 0.0 111.581 172.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -67.83 -43.87 78.55 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.225 0.61 . . . . 0.0 111.841 176.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.13 -33.0 72.76 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.258 -0.901 . . . . 0.0 111.826 175.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -65.3 -41.05 94.46 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.391 -0.818 . . . . 0.0 111.628 171.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.52 -49.08 78.98 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.589 0.756 . . . . 0.0 111.813 172.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.34 -39.98 84.91 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 177.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.06 -42.69 80.1 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 175.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.3 mmm -62.39 -42.34 99.35 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.058 -1.026 . . . . 0.0 111.646 174.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -68.69 -35.43 77.17 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.298 -0.876 . . . . 0.0 112.475 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 m -77.96 -24.42 48.15 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 78.3 p -101.35 1.31 38.41 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.17 25.27 49.07 Favored Glycine 0 CA--C 1.533 1.165 0 O-C-N 121.726 -0.608 . . . . 0.0 114.156 176.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.52 2.45 88.92 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-O 118.501 -1.166 . . . . 0.0 115.736 175.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -78.28 114.89 17.58 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.79 1.795 . . . . 0.0 111.249 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.23 -39.36 78.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-O 119.134 -0.46 . . . . 0.0 112.033 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -61.68 -41.76 98.0 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.0 mm -75.4 -36.38 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 122.986 0.514 . . . . 0.0 110.188 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.01 -47.46 74.4 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.64 -0.662 . . . . 0.0 111.972 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 pt -66.81 -35.42 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.439 -0.788 . . . . 0.0 111.264 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.87 -45.42 92.54 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.79 1.177 . . . . 0.0 112.794 171.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -64.74 -36.82 85.53 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 121.413 -0.804 . . . . 0.0 112.705 176.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mp -69.34 -39.0 78.43 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.6 mt . . . . . 0 N--CA 1.475 0.806 0 CA-C-N 119.364 0.984 . . . . 0.0 112.31 176.526 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.8 m . . . . . 0 N--CA 1.472 0.674 0 N-CA-C 113.68 0.993 . . . . 0.0 113.68 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -67.24 -42.25 84.3 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.041 0.837 . . . . 0.0 112.207 178.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -67.26 -41.25 85.85 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.504 -0.748 . . . . 0.0 111.461 175.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 32.2 mm -61.89 -47.38 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-O 118.719 -0.657 . . . . 0.0 110.646 174.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 58.2 tp -59.35 -48.88 79.97 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.769 1.168 . . . . 0.0 111.914 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -58.31 -53.75 54.77 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.283 0.492 . . . . 0.0 110.895 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -67.14 -35.13 79.05 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 118.264 -0.874 . . . . 0.0 112.604 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.98 -50.98 60.58 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.392 0.997 . . . . 0.0 111.008 176.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -63.12 -41.03 99.25 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.286 0.634 . . . . 0.0 110.824 -178.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -68.44 -46.57 69.48 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.094 0.861 . . . . 0.0 112.793 174.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -25.06 65.04 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.609 1.095 . . . . 0.0 113.845 -177.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.8 p -88.72 -36.79 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 173.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.1 p . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 -174.364 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 . . . . . 0 CA--C 1.543 0.69 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.0 t -73.31 -35.59 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 O-C-N 121.506 -0.746 . . . . 0.0 112.226 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.413 ' CG ' HH21 ' A' ' 95' ' ' ARG . 18.8 t70 -64.11 -43.37 95.55 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 121.19 -0.944 . . . . 0.0 111.65 174.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.39 -41.45 98.67 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.938 0.895 . . . . 0.0 112.237 169.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.66 88.21 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.618 -0.676 . . . . 0.0 111.879 176.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.8 mt -62.33 -47.42 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.614 172.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -62.65 -36.71 83.71 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 120.468 1.485 . . . . 0.0 113.025 175.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -64.36 -43.4 94.66 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.172 -0.955 . . . . 0.0 111.769 175.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 54.1 mt -63.51 -43.75 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.798 0.839 . . . . 0.0 110.906 173.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.1 tp -60.48 -42.54 96.48 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.49 1.116 . . . . 0.0 111.501 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -68.33 -45.04 73.98 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.179 0.991 . . . . 0.0 112.441 173.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -64.2 -40.12 95.41 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.8 p -85.18 -13.22 50.71 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -176.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.6 t30 52.91 52.02 14.73 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.814 1.246 . . . . 0.0 112.443 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -136.81 169.16 18.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.465 1.506 . . . . 0.0 111.987 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.7 p -84.74 161.57 19.96 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.312 0.645 . . . . 0.0 111.989 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -66.03 -31.32 72.15 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.162 -0.961 . . . . 0.0 111.666 174.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -65.23 -44.95 86.56 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 122.99 0.516 . . . . 0.0 111.332 173.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -64.38 -36.93 85.75 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.516 0.598 . . . . 0.0 111.781 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -66.72 -42.03 87.0 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.557 -0.714 . . . . 0.0 111.847 174.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.74 -48.48 81.61 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.902 0.773 . . . . 0.0 111.036 173.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -59.07 -41.47 88.05 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.44 -38.86 92.5 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.382 0.673 . . . . 0.0 112.295 175.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 85.3 mmm -69.53 -39.8 77.27 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.899 -1.126 . . . . 0.0 112.657 175.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.64 -44.1 82.85 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.432 1.015 . . . . 0.0 112.008 175.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.2 m -71.92 -19.35 61.93 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 64.2 p -94.52 -2.79 51.02 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 171.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.43 26.13 66.44 Favored Glycine 0 CA--C 1.534 1.257 0 O-C-N 121.761 -0.587 . . . . 0.0 113.762 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.6 59.23 2.39 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.015 0.817 . . . . 0.0 112.976 -175.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.0 mmt-85 -133.54 101.49 5.15 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 118.123 0.961 . . . . 0.0 112.857 171.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.8 p -58.55 -38.27 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.688 0.795 . . . . 0.0 113.077 -175.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -62.08 -43.41 98.89 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 119.557 1.071 . . . . 0.0 113.22 176.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.4 mt -74.17 -35.65 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.421 0.688 . . . . 0.0 110.029 178.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.4 -46.12 77.69 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.545 -0.722 . . . . 0.0 111.748 177.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.9 pt -66.94 -36.17 76.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 119.435 1.016 . . . . 0.0 111.473 174.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.72 -43.49 90.14 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.163 0.892 . . . . 0.0 112.249 169.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -65.53 -39.06 91.36 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.307 1.043 . . . . 0.0 112.209 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.37 -31.89 70.59 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 174.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.6 mt . . . . . 0 N--CA 1.475 0.801 0 CA-C-N 119.051 0.842 . . . . 0.0 112.974 174.774 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.7 m . . . . . 0 N--CA 1.474 0.756 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -63.47 -40.58 97.49 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.259 0.936 . . . . 0.0 113.191 -172.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -67.44 -40.31 85.43 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.794 0.725 . . . . 0.0 111.728 176.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.37 -45.32 93.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.4 0.68 . . . . 0.0 109.371 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.84 -48.71 80.4 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.791 0.836 . . . . 0.0 111.661 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -57.4 -52.39 65.54 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.633 0.651 . . . . 0.0 111.567 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -69.13 -29.76 67.87 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.275 -0.89 . . . . 0.0 113.008 -176.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.5 tp -71.21 -36.17 71.78 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.171 0.896 . . . . 0.0 111.894 173.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -65.84 -38.27 88.44 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 118.757 0.708 . . . . 0.0 111.732 171.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -60.82 -53.34 58.58 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.069 0.85 . . . . 0.0 110.981 172.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . 0.413 HH21 ' CG ' ' A' ' 15' ' ' ASP . 19.2 mtt180 -59.01 -43.72 91.57 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -178.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.3 t -95.63 -33.93 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -171.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 N--CA 1.473 0.704 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -173.605 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 . . . . . 0 N--CA 1.473 0.684 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.1 t -79.2 -33.26 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 118.954 -0.546 . . . . 0.0 111.392 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.58 -44.93 95.67 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.543 1.065 . . . . 0.0 112.044 169.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.97 -43.03 99.9 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.565 0.746 . . . . 0.0 111.832 174.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.73 96.9 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 118.623 0.647 . . . . 0.0 111.89 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 50.8 mt -60.12 -48.58 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.458 174.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.35 -38.36 86.68 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.515 1.052 . . . . 0.0 112.905 177.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -61.54 -47.78 84.01 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.381 0.672 . . . . 0.0 111.251 174.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.47 -46.76 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-N 118.74 0.7 . . . . 0.0 110.971 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.5 tp -57.24 -45.66 83.7 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.894 1.278 . . . . 0.0 111.776 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -80.27 -33.23 37.97 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -62.13 -39.89 94.09 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.655 1.116 . . . . 0.0 111.98 170.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.8 m -82.8 -11.97 57.84 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.678 1.191 . . . . 0.0 112.462 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.2 t30 50.62 40.01 22.82 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.867 1.667 . . . . 0.0 113.412 -172.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.4 p -103.74 173.94 6.09 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.257 1.423 . . . . 0.0 112.607 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.0 t -107.05 157.06 18.12 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.39 1.076 . . . . 0.0 110.996 168.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -66.35 -34.0 76.99 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 120.428 -1.42 . . . . 0.0 113.645 -168.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -68.44 -43.77 76.37 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.501 -0.749 . . . . 0.0 111.293 174.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -59.38 -41.25 88.91 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.355 1.062 . . . . 0.0 111.52 172.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -66.15 -41.35 90.51 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.667 -0.646 . . . . 0.0 111.707 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.62 -45.96 92.07 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.313 0.961 . . . . 0.0 111.622 173.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -63.96 -37.3 86.9 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.81 92.53 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.492 0.717 . . . . 0.0 112.146 174.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 68.6 mmm -63.81 -44.25 93.84 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.485 0.714 . . . . 0.0 111.411 174.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.45 -41.52 97.34 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.868 0.758 . . . . 0.0 111.987 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 t -67.57 -32.24 72.86 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.4 p -102.05 7.06 41.3 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -175.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.8 19.34 75.71 Favored Glycine 0 CA--C 1.537 1.413 0 O-C-N 121.25 -0.906 . . . . 0.0 114.547 176.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.11 3.4 82.6 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.806 1.193 . . . . 0.0 115.498 175.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -78.33 106.94 10.59 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.105 1.453 . . . . 0.0 110.53 175.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.48 -42.09 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 123.607 0.763 . . . . 0.0 111.556 -177.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -60.37 -40.09 89.57 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.0 mt -73.71 -38.03 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.285 0.634 . . . . 0.0 110.021 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.75 -52.12 65.52 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.478 -0.764 . . . . 0.0 111.486 177.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 pt -66.9 -36.02 76.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 121.573 -0.704 . . . . 0.0 111.111 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.58 76.94 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.343 0.974 . . . . 0.0 112.967 173.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -67.28 -29.66 69.32 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.652 0.781 . . . . 0.0 112.507 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.7 mp -75.27 -38.32 60.49 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 172.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.7 mt . . . . . 0 N--CA 1.471 0.594 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 179.878 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 m . . . . . 0 N--CA 1.472 0.668 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -71.36 -39.99 70.92 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.672 -0.643 . . . . 0.0 112.304 175.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -58.95 -49.35 78.19 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.624 0.769 . . . . 0.0 111.355 174.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.2 mm -65.69 -45.33 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.204 1.002 . . . . 0.0 110.377 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 60.8 tp -58.63 -47.94 82.67 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.466 1.03 . . . . 0.0 111.871 175.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -59.43 -53.91 52.7 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.717 0.689 . . . . 0.0 110.675 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.5 ttt85 -65.66 -34.69 78.79 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.141 -0.974 . . . . 0.0 112.701 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 32.8 tp -69.32 -38.33 78.18 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.591 1.087 . . . . 0.0 111.807 176.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -64.91 -45.34 86.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.743 0.817 . . . . 0.0 111.021 176.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -68.73 -42.6 77.39 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 118.939 0.791 . . . . 0.0 111.619 177.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 31.0 ttt85 -57.41 -47.97 80.35 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.038 0.935 . . . . 0.0 112.574 177.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.7 t -90.37 -33.93 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -173.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.2 m . . . . . 0 N--CA 1.476 0.838 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -169.841 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 . . . . . 0 CA--C 1.543 0.685 0 N-CA-C 111.838 0.31 . . . . 0.0 111.838 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.7 t -71.87 -42.83 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.708 0.803 . . . . 0.0 111.305 176.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.61 -47.18 85.21 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.613 0.765 . . . . 0.0 112.107 174.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -65.58 -40.84 93.2 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.516 0.727 . . . . 0.0 112.209 175.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.67 -41.07 96.34 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.03 0.832 . . . . 0.0 111.907 177.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.3 mt -62.14 -47.59 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.843 0.857 . . . . 0.0 110.73 173.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -62.21 -40.6 96.63 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.412 1.006 . . . . 0.0 112.786 177.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -63.35 -44.33 95.13 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.511 -0.743 . . . . 0.0 111.948 175.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.1 mt -63.14 -46.02 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.063 0.545 . . . . 0.0 111.247 174.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.4 tp -55.56 -45.11 77.34 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.865 1.266 . . . . 0.0 111.743 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -72.03 -44.77 62.85 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.595 0.758 . . . . 0.0 112.902 175.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -59.32 -38.83 81.28 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.033 0.933 . . . . 0.0 112.904 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.7 p -83.49 -4.69 58.75 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.8 t30 54.18 37.17 26.61 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 124.439 1.096 . . . . 0.0 112.646 -176.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 84.9 p -113.09 174.57 5.84 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.313 1.045 . . . . 0.0 113.448 -170.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.1 t -107.95 153.05 23.63 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.983 0.913 . . . . 0.0 110.193 167.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -61.89 -28.05 69.23 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.831 -1.168 . . . . 0.0 113.069 -169.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -64.34 -38.39 90.86 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.442 -0.786 . . . . 0.0 112.347 173.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -67.49 -42.45 82.91 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.777 -0.577 . . . . 0.0 110.877 175.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -65.07 -41.88 94.67 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.802 0.441 . . . . 0.0 111.432 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.53 -47.87 81.99 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.456 -0.777 . . . . 0.0 111.973 173.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -61.64 -41.53 97.63 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 122.88 0.472 . . . . 0.0 111.981 179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.58 -47.17 79.69 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.905 0.482 . . . . 0.0 112.028 174.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 68.5 mmm -63.61 -34.09 77.06 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.05 0.841 . . . . 0.0 112.708 177.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -66.55 -40.9 89.27 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.152 -0.968 . . . . 0.0 111.472 170.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.4 t -69.02 -29.59 67.8 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.9 p -96.49 -2.79 44.51 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.71 30.8 65.73 Favored Glycine 0 CA--C 1.539 1.538 0 O-C-N 121.417 -0.802 . . . . 0.0 113.737 -177.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.61 10.91 80.84 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.42 1.01 . . . . 0.0 114.821 -178.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -77.11 90.23 3.64 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 118.972 1.386 . . . . 0.0 109.914 176.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.0 p -56.88 -37.55 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.636 0.774 . . . . 0.0 112.892 -175.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.6 ptt-85 -61.06 -41.45 96.64 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 175.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.3 mt -73.58 -37.06 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.164 0.586 . . . . 0.0 109.804 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.6 -46.27 79.99 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.337 -0.852 . . . . 0.0 111.632 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 pt -68.59 -36.08 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.619 -0.676 . . . . 0.0 111.411 175.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.01 -45.62 90.22 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.843 0.747 . . . . 0.0 112.424 171.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -64.31 -44.72 90.73 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 121.457 -0.777 . . . . 0.0 112.215 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.2 -37.15 81.94 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.402 0.681 . . . . 0.0 112.545 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.0 mt . . . . . 0 CA--C 1.541 0.606 0 CA-C-N 118.607 0.64 . . . . 0.0 112.209 175.502 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.471 0.604 0 N-CA-C 113.594 0.961 . . . . 0.0 113.594 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . 0.259 2.8 pp0? -72.34 -29.65 64.01 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 118.769 -0.634 . . . . 0.0 112.648 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -66.14 -48.82 69.55 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.857 1.208 . . . . 0.0 111.808 173.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 31.8 mm -61.08 -47.57 92.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 118.371 0.532 . . . . 0.0 110.17 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.29 -43.99 95.77 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.772 0.714 . . . . 0.0 112.364 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -63.05 -49.64 73.77 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.242 0.928 . . . . 0.0 111.359 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -65.46 -35.38 80.74 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.558 1.072 . . . . 0.0 112.529 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.4 tp -66.18 -39.52 89.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.326 0.65 . . . . 0.0 111.96 174.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.6 ttt85 -68.93 -42.4 76.82 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.155 0.582 . . . . 0.0 111.556 176.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -61.26 -49.77 75.72 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.602 0.637 . . . . 0.0 111.907 176.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -68.4 -36.66 79.43 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 69.0 t -76.59 -51.87 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 118.812 0.733 . . . . 0.0 111.869 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 61.1 m . . . . . 0 N--CA 1.472 0.67 0 CA-C-N 119.034 0.834 . . . . 0.0 112.149 -178.776 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 . . . . . 0 N--CA 1.473 0.691 0 N-CA-C 111.184 0.068 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.4 t -66.08 -42.02 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.234 0.614 . . . . 0.0 110.567 171.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.31 -43.66 94.02 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.639 0.776 . . . . 0.0 112.345 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.78 -41.16 97.36 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.996 0.918 . . . . 0.0 112.201 173.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.54 -43.36 97.32 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.62 0.645 . . . . 0.0 111.361 175.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.4 mt -59.19 -44.72 92.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.619 0.767 . . . . 0.0 111.215 173.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -63.98 -39.07 93.3 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.599 0.76 . . . . 0.0 112.193 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.83 -41.63 95.6 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.695 0.798 . . . . 0.0 112.237 174.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.71 -44.47 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.071 0.851 . . . . 0.0 110.666 173.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.7 tp -56.93 -43.71 81.75 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.131 0.972 . . . . 0.0 111.818 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 -70.56 -46.89 62.67 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.586 0.755 . . . . 0.0 112.555 174.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -61.03 -39.55 90.19 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.007 0.923 . . . . 0.0 112.981 -177.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.2 p -81.48 -4.15 55.07 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 176.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.3 t30 52.81 55.32 9.16 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.506 1.522 . . . . 0.0 111.928 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.7 m -124.82 165.4 18.08 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.993 0.917 . . . . 0.0 112.985 -171.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.2 p -89.5 159.32 17.3 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.517 0.727 . . . . 0.0 111.288 169.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.61 -30.79 71.56 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.717 -1.239 . . . . 0.0 112.33 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -68.1 -40.02 82.71 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.351 0.66 . . . . 0.0 111.529 172.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -63.11 -39.53 94.95 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.619 0.645 . . . . 0.0 111.723 172.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.45 -40.76 80.96 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.4 -0.812 . . . . 0.0 111.612 177.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.5 -47.45 85.46 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.462 -0.774 . . . . 0.0 111.745 171.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.66 -40.2 96.23 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 178.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.3 -42.33 88.48 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.452 0.701 . . . . 0.0 111.96 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.6 mmm -66.5 -39.95 88.96 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.238 -0.914 . . . . 0.0 111.927 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.72 -38.86 90.32 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.202 0.601 . . . . 0.0 111.784 175.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 m -73.87 -23.47 59.6 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.799 1.036 . . . . 0.0 113.799 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.7 p -106.2 1.83 26.41 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -176.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.55 27.12 71.76 Favored Glycine 0 CA--C 1.534 1.242 0 O-C-N 121.577 -0.702 . . . . 0.0 113.158 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.57 9.22 86.69 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 115.874 1.109 . . . . 0.0 115.874 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.8 mtt85 -74.7 99.7 3.77 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.031 1.915 . . . . 0.0 110.37 174.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.61 -34.34 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 CA-C-O 118.747 -0.644 . . . . 0.0 112.441 -176.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -62.22 -43.55 98.58 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 119.52 1.055 . . . . 0.0 113.699 175.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.6 mt -75.32 -35.02 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.009 0.524 . . . . 0.0 109.773 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.91 -46.97 82.45 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.303 -0.873 . . . . 0.0 111.476 175.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.0 pt -67.99 -35.51 72.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 119.871 1.214 . . . . 0.0 111.797 175.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.24 -44.45 88.31 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.586 1.085 . . . . 0.0 112.514 170.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -64.97 -44.25 89.98 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.494 1.117 . . . . 0.0 111.711 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 64.0 mt -66.85 -32.7 74.14 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.9 0.88 . . . . 0.0 112.904 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.9 mt . . . . . 0 N--CA 1.472 0.632 0 CA-C-N 119.348 0.976 . . . . 0.0 111.919 173.448 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.5 p . . . . . 0 N--CA 1.468 0.469 0 N-CA-C 114.475 1.287 . . . . 0.0 114.475 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -71.07 -41.78 70.24 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -171.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -68.6 -42.21 78.49 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.896 0.771 . . . . 0.0 111.766 178.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.1 mm -67.21 -44.31 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.302 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.22 -43.7 98.45 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.112 1.324 . . . . 0.0 111.419 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -58.21 -55.92 28.7 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.426 0.557 . . . . 0.0 110.976 176.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -66.82 -36.21 81.83 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.21 0.913 . . . . 0.0 112.221 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.4 -49.08 68.0 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.394 0.997 . . . . 0.0 111.625 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -65.19 -37.18 86.51 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.974 0.51 . . . . 0.0 111.381 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -66.49 -45.11 80.71 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.153 0.433 . . . . 0.0 112.125 172.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -59.91 -42.35 93.7 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.249 1.02 . . . . 0.0 112.603 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.6 t -90.04 -37.33 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -175.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.475 0.817 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -168.934 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 . . . . . 0 CA--C 1.542 0.661 0 N-CA-C 111.469 0.174 . . . . 0.0 111.469 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.4 t -70.09 -43.58 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.128 0.971 . . . . 0.0 110.936 176.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.92 -46.27 91.32 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.709 0.804 . . . . 0.0 112.343 175.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.93 -41.91 97.5 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.309 1.044 . . . . 0.0 111.672 176.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.33 99.08 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.663 0.665 . . . . 0.0 111.845 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.1 mt -59.47 -48.8 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.303 0.641 . . . . 0.0 110.915 174.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.19 -39.59 94.32 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.136 0.88 . . . . 0.0 112.844 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -63.44 -43.14 98.25 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.507 -0.746 . . . . 0.0 111.753 175.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.7 mt -63.14 -47.09 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.465 0.706 . . . . 0.0 110.829 173.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.7 tp -59.78 -39.96 86.66 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.347 1.059 . . . . 0.0 111.799 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -71.03 -47.4 58.8 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.282 1.033 . . . . 0.0 112.544 173.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.76 -41.07 94.74 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.127 0.971 . . . . 0.0 112.972 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.5 p -81.61 -8.91 59.77 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.993 1.108 . . . . 0.0 113.993 176.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.279 0.8 OUTLIER 48.64 32.24 3.41 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.18 1.792 . . . . 0.0 113.918 -171.759 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 87.2 p -96.31 -178.34 4.27 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.926 1.29 . . . . 0.0 112.96 -174.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.3 p -103.26 151.09 23.08 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.794 0.838 . . . . 0.0 109.632 168.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -62.5 -31.39 72.14 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.234 -0.916 . . . . 0.0 112.381 -177.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -67.84 -36.07 79.7 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.304 -0.873 . . . . 0.0 113.079 172.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -69.58 -38.92 77.55 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.076 0.853 . . . . 0.0 111.538 172.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -63.2 -43.03 99.29 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.824 -0.548 . . . . 0.0 111.243 173.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.02 -45.22 93.35 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.118 -0.989 . . . . 0.0 111.843 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.14 -40.56 96.35 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.153 0.581 . . . . 0.0 112.352 177.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.78 -43.29 84.33 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.73 -0.606 . . . . 0.0 111.878 174.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.4 mmm -62.14 -37.58 85.73 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.027 0.83 . . . . 0.0 112.305 174.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -65.0 -39.79 93.97 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.008 -1.058 . . . . 0.0 111.653 171.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.5 t -64.4 -31.73 73.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.14 0.976 . . . . 0.0 113.565 175.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.7 p -99.83 -0.34 39.95 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -177.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.37 29.41 66.19 Favored Glycine 0 CA--C 1.537 1.463 0 O-C-N 121.457 -0.777 . . . . 0.0 113.537 -176.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.1 10.96 70.64 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.814 1.197 . . . . 0.0 115.163 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.8 mmt-85 -81.29 99.39 8.61 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 119.271 1.536 . . . . 0.0 110.54 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.5 t -54.34 -45.06 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.535 1.134 . . . . 0.0 111.786 -178.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.1 ptm85 -60.06 -40.54 89.84 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.6 mt -75.71 -36.02 32.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 122.93 0.492 . . . . 0.0 109.933 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.73 -46.7 77.91 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.264 -0.898 . . . . 0.0 111.56 178.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.7 pt -67.48 -35.41 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 118.538 -0.744 . . . . 0.0 111.143 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.47 -45.36 91.85 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.354 0.979 . . . . 0.0 112.982 171.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -68.15 -31.71 71.48 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.2 -44.38 75.96 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.412 0.685 . . . . 0.0 111.883 170.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.3 mt . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 179.433 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.4 p . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 114.377 1.251 . . . . 0.0 114.377 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -70.16 -36.98 75.09 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.342 0.657 . . . . 0.0 112.566 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -77.27 -34.75 55.62 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.464 -0.773 . . . . 0.0 111.943 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.6 mm -59.39 -48.19 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.747 0.819 . . . . 0.0 109.47 169.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.4 tp -60.98 -45.27 95.46 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.579 0.627 . . . . 0.0 112.05 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -58.55 -50.42 73.84 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.032 0.833 . . . . 0.0 112.101 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 51.0 ttm-85 -71.87 -32.07 67.1 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 121.299 -0.876 . . . . 0.0 112.868 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.5 tp -66.66 -38.93 87.87 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.508 0.594 . . . . 0.0 111.534 171.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.0 ttp85 -68.45 -39.3 81.54 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.267 1.027 . . . . 0.0 111.371 176.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -61.06 -50.79 71.88 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.277 0.944 . . . . 0.0 111.142 171.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -63.1 -37.29 86.61 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 70.0 t -88.4 -44.83 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.608 0.763 . . . . 0.0 112.895 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 N--CA 1.471 0.593 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -169.101 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 111.957 0.354 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.2 t -71.53 -41.17 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 O-C-N 121.579 -0.7 . . . . 0.0 111.251 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.46 -43.37 98.98 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.165 0.986 . . . . 0.0 112.765 174.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -65.97 -40.19 91.04 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.244 1.018 . . . . 0.0 112.078 173.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.65 -38.7 91.9 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.798 -0.564 . . . . 0.0 111.452 176.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.0 mt -59.06 -49.06 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.71 0.804 . . . . 0.0 110.852 170.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.64 -39.42 93.78 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.502 1.046 . . . . 0.0 112.699 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -64.52 -44.92 89.35 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.697 0.799 . . . . 0.0 112.259 175.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.4 mt -60.63 -48.34 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 123.014 0.525 . . . . 0.0 110.125 173.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.83 -37.0 82.81 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.239 1.015 . . . . 0.0 112.533 -177.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -66.0 -43.15 88.57 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.809 0.844 . . . . 0.0 111.961 170.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -68.37 -39.94 81.6 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.6 p -74.8 -18.78 60.41 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.013 -1.054 . . . . 0.0 113.622 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 53.18 26.79 5.31 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.962 1.305 . . . . 0.0 113.922 -172.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.6 p -98.68 178.76 4.89 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.934 1.293 . . . . 0.0 111.947 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.1 p -87.65 160.99 17.93 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.505 -0.747 . . . . 0.0 110.482 168.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -65.88 -34.32 77.85 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.052 -1.03 . . . . 0.0 111.902 176.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -68.51 -35.87 78.09 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.36 -0.837 . . . . 0.0 112.747 172.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -64.93 -39.17 93.1 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.132 0.878 . . . . 0.0 111.46 170.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -66.28 -43.44 86.4 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.714 -0.616 . . . . 0.0 111.689 175.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.37 -45.05 96.02 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.852 0.751 . . . . 0.0 111.562 174.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -61.24 -41.5 97.0 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.331 0.653 . . . . 0.0 112.245 175.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.51 96.76 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.213 0.605 . . . . 0.0 112.116 176.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 60.1 mtp -64.4 -42.6 96.0 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.627 1.103 . . . . 0.0 111.924 173.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -64.5 -41.19 96.58 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.187 0.903 . . . . 0.0 112.701 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.4 m -75.79 -23.46 55.88 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.1 p -96.61 2.64 52.45 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.92 19.99 56.57 Favored Glycine 0 N--CA 1.476 1.321 0 O-C-N 121.5 -0.75 . . . . 0.0 114.235 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.62 -1.38 78.68 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.639 1.114 . . . . 0.0 115.622 175.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -76.36 115.29 15.96 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.577 1.689 . . . . 0.0 111.434 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.49 -37.72 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 O-C-N 121.778 -0.576 . . . . 0.0 111.909 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -62.09 -42.96 99.74 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.7 mm -75.2 -35.44 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 122.857 0.463 . . . . 0.0 109.972 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.32 -48.91 73.8 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.705 -0.622 . . . . 0.0 111.891 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.9 pt -67.03 -37.22 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.43 -0.794 . . . . 0.0 111.197 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.2 -46.25 86.16 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.303 0.956 . . . . 0.0 112.355 172.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -65.83 -38.29 88.51 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 121.187 -0.945 . . . . 0.0 112.81 177.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.4 mt -68.83 -34.56 75.7 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 176.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.2 mt . . . . . 0 N--CA 1.472 0.644 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -179.192 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.9 m . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -71.2 -37.18 72.11 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.562 0.619 . . . . 0.0 112.277 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -66.35 -47.59 72.95 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 118.636 0.653 . . . . 0.0 111.865 175.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.5 mm -60.02 -45.65 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.716 0.806 . . . . 0.0 110.296 174.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.24 -46.41 89.89 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.529 1.058 . . . . 0.0 112.182 176.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.89 -52.59 64.76 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.875 0.761 . . . . 0.0 111.216 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -67.55 -34.6 77.41 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 118.715 -0.659 . . . . 0.0 112.685 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.9 tp -68.9 -42.52 76.77 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.657 1.117 . . . . 0.0 111.413 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -65.65 -43.01 90.75 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.903 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -65.76 -45.0 84.18 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 176.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 57.8 mtp85 -57.03 -42.74 81.02 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.657 0.783 . . . . 0.0 112.491 174.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.4 t -82.28 -36.73 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.749 0.82 . . . . 0.0 112.279 -175.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.7 p . . . . . 0 CA--C 1.54 0.568 0 CA-C-N 119.24 0.927 . . . . 0.0 111.906 178.824 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 . . . . . 0 N--CA 1.474 0.737 0 N-CA-C 111.502 0.186 . . . . 0.0 111.502 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.1 t -66.11 -40.63 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.327 0.651 . . . . 0.0 110.737 170.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.32 -40.89 90.22 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.179 -0.95 . . . . 0.0 113.361 173.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -60.89 -38.88 87.2 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.379 -0.826 . . . . 0.0 111.644 170.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.79 94.37 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.173 0.897 . . . . 0.0 111.356 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.3 mt -56.81 -47.62 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 118.485 0.584 . . . . 0.0 111.113 169.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -65.87 -36.06 82.38 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.692 1.133 . . . . 0.0 113.579 176.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -63.68 -44.43 93.76 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.312 -0.867 . . . . 0.0 111.043 175.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.6 mt -62.58 -44.79 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.261 0.624 . . . . 0.0 111.033 172.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.1 tp -58.35 -42.17 86.29 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.802 0.841 . . . . 0.0 111.903 178.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.2 tpt85 -73.31 -38.06 65.98 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.043 0.937 . . . . 0.0 113.209 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -68.94 -39.96 79.27 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.858 0.863 . . . . 0.0 112.426 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.4 p -76.37 -14.88 60.06 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 172.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.3 t30 51.02 40.38 25.36 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.805 1.642 . . . . 0.0 112.723 -176.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 t -121.7 -174.64 2.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.225 1.01 . . . . 0.0 112.94 -171.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.1 t -99.23 150.86 21.65 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.739 1.216 . . . . 0.0 111.975 176.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.79 -33.14 73.58 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.244 1.018 . . . . 0.0 111.974 -173.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -63.58 -41.36 98.37 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.27 0.628 . . . . 0.0 111.593 175.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -70.8 -37.11 73.25 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.365 0.666 . . . . 0.0 111.733 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -63.24 -44.53 94.96 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.714 -0.616 . . . . 0.0 111.585 170.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.6 -45.11 95.48 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.874 0.761 . . . . 0.0 111.896 175.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -64.46 -37.46 87.6 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.54 -37.03 79.61 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.528 -0.733 . . . . 0.0 112.192 173.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.6 mmm -66.5 -43.11 86.21 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.175 -0.953 . . . . 0.0 111.748 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -66.01 -37.14 85.16 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.613 1.097 . . . . 0.0 112.118 174.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -63.63 -29.63 70.85 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.628 1.171 . . . . 0.0 113.3 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.6 p -105.24 -0.35 26.46 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -175.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.17 27.99 67.19 Favored Glycine 0 CA--C 1.536 1.401 0 O-C-N 121.515 -0.741 . . . . 0.0 113.745 -178.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.18 17.05 65.66 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.348 0.975 . . . . 0.0 114.865 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -83.17 94.44 7.86 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.271 1.535 . . . . 0.0 109.727 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.0 t -51.25 -44.57 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 124.22 1.008 . . . . 0.0 111.614 -176.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -59.95 -41.99 93.09 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.4 mt -75.3 -37.3 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.243 0.617 . . . . 0.0 109.71 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.48 -48.68 76.65 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.132 -0.98 . . . . 0.0 111.394 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.2 pt -68.44 -34.61 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 O-C-N 121.392 -0.817 . . . . 0.0 111.276 177.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.91 94.79 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 119.228 0.922 . . . . 0.0 112.604 170.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -65.65 -41.19 92.87 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.39 -0.819 . . . . 0.0 112.292 175.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.85 -45.53 94.14 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.385 0.993 . . . . 0.0 112.115 173.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.5 mt . . . . . 0 CA--C 1.542 0.65 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.869 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.3 p . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -71.04 -34.48 71.3 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -177.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -75.47 -38.74 59.42 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.856 -1.152 . . . . 0.0 112.472 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.9 mm -60.31 -46.23 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 118.495 0.589 . . . . 0.0 109.451 169.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.69 -50.61 73.19 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.954 0.797 . . . . 0.0 112.499 175.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -61.68 -47.5 85.04 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.493 1.042 . . . . 0.0 111.5 -176.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.2 ttt-85 -68.99 -34.16 74.84 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 118.387 -0.816 . . . . 0.0 112.18 178.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.4 tp -67.16 -40.79 86.71 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.407 1.003 . . . . 0.0 111.847 173.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 36.8 ttt-85 -69.7 -40.68 76.18 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.776 0.83 . . . . 0.0 110.96 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -62.35 -53.14 59.4 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.961 0.504 . . . . 0.0 111.917 170.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -59.68 -32.97 70.98 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.878 1.271 . . . . 0.0 113.006 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 79.8 t -85.62 -38.49 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.149 0.979 . . . . 0.0 113.145 175.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.3 m . . . . . 0 N--CA 1.477 0.921 0 CA-C-N 119.19 0.904 . . . . 0.0 112.786 -178.114 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.4 m . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 112.073 0.397 . . . . 0.0 112.073 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.0 m -133.3 157.65 42.72 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 125.702 1.601 . . . . 0.0 111.873 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.4 m -67.25 149.73 50.01 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.201 1.001 . . . . 0.0 113.058 178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -71.98 157.52 6.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.123 0.969 . . . . 0.0 112.475 175.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 90.4 mt -74.57 141.97 44.73 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.374 0.67 . . . . 0.0 111.362 173.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 8.7 tpm_? -145.5 99.12 3.24 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.096 1.358 . . . . 0.0 111.003 -176.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 41.5 m -73.96 147.81 42.71 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.116 0.966 . . . . 0.0 111.581 175.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 87.7 p -82.37 165.18 20.53 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.571 1.148 . . . . 0.0 113.145 178.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 8.7 p -130.96 23.51 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.194 0 C-N-CA 125.204 1.402 . . . . 0.0 112.459 -179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -63.78 -20.72 65.99 Favored 'General case' 0 CA--C 1.542 0.659 0 O-C-N 120.274 -1.516 . . . . 0.0 114.436 -169.593 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -61.37 -28.89 69.56 Favored 'General case' 0 N--CA 1.473 0.719 0 O-C-N 120.586 -1.321 . . . . 0.0 113.279 170.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.9 tpt180 -71.25 -35.91 71.59 Favored 'General case' 0 N--CA 1.48 1.066 0 CA-C-N 119.578 1.081 . . . . 0.0 112.511 171.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -69.37 -38.16 77.91 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 122.971 0.508 . . . . 0.0 111.15 176.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.8 t -67.73 -41.04 84.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 O-C-N 121.516 -0.74 . . . . 0.0 111.575 171.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -61.26 -41.75 97.46 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 121.512 -0.743 . . . . 0.0 112.298 172.477 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.41 -40.99 98.33 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.188 -0.945 . . . . 0.0 111.97 172.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.22 -41.68 94.18 Favored 'General case' 0 CA--C 1.548 0.886 0 O-C-N 121.704 -0.623 . . . . 0.0 111.738 175.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 44.5 mt -57.97 -48.14 84.85 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.877 0.871 . . . . 0.0 110.596 170.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.7 -40.97 89.67 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.492 0.717 . . . . 0.0 112.14 178.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 65.3 t30 -66.42 -31.46 72.23 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 112.413 0.523 . . . . 0.0 112.413 173.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.4 mt -66.05 -40.96 88.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 119.627 1.103 . . . . 0.0 111.203 169.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 13.8 mt -60.13 -44.41 94.95 Favored 'General case' 0 N--CA 1.479 0.993 0 CA-C-N 120.128 1.331 . . . . 0.0 111.19 175.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 62.1 ttt-85 -61.4 -45.16 95.51 Favored 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 125.541 1.536 . . . . 0.0 112.373 176.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.0 t80 -68.12 -40.33 82.55 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.316 1.046 . . . . 0.0 113.033 178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 69.3 p -91.22 -2.31 57.51 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -178.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.0 t30 52.86 53.99 11.21 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 125.47 1.508 . . . . 0.0 112.083 -175.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 82.4 p -136.4 178.3 7.17 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.435 1.094 . . . . 0.0 113.772 -169.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.2 p -101.85 162.06 13.19 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.534 1.134 . . . . 0.0 111.455 169.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -61.92 -31.25 71.55 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 120.901 -1.125 . . . . 0.0 112.304 171.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -63.99 -45.78 87.51 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 119.19 0.905 . . . . 0.0 111.058 173.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 83.0 mt-30 -64.36 -39.17 93.34 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 123.085 0.554 . . . . 0.0 111.747 176.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -69.12 -38.56 78.94 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.708 -0.62 . . . . 0.0 112.378 175.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.83 -45.05 95.48 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 119.439 1.018 . . . . 0.0 110.958 173.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -63.66 -39.51 94.52 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.952 0.723 . . . . 0.0 112.952 175.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.19 -41.21 94.8 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.795 -0.566 . . . . 0.0 112.06 174.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 66.9 mmm -65.35 -42.35 92.94 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 121.41 -0.807 . . . . 0.0 111.985 174.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -63.64 -39.22 93.81 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 123.359 0.664 . . . . 0.0 111.623 177.424 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 21.3 t -71.01 -29.5 65.47 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.178 0.991 . . . . 0.0 113.462 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.9 p -104.88 6.14 33.51 Favored 'General case' 0 N--CA 1.484 1.258 0 N-CA-C 114.5 1.296 . . . . 0.0 114.5 -174.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.57 23.39 70.36 Favored Glycine 0 CA--C 1.537 1.439 0 O-C-N 121.28 -0.888 . . . . 0.0 114.711 176.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.13 7.14 87.36 Favored Glycine 0 CA--C 1.534 1.277 0 N-CA-C 115.769 1.067 . . . . 0.0 115.769 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.7 mmt180 -78.15 102.13 7.39 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 119.106 1.453 . . . . 0.0 110.186 174.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 61.6 t -52.63 -41.91 39.03 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.755 0.822 . . . . 0.0 111.872 -177.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 40.9 ptt180 -60.88 -42.13 97.33 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 113.512 0.93 . . . . 0.0 113.512 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 41.2 mt -74.53 -38.04 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.138 0.575 . . . . 0.0 109.524 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.12 -50.14 73.1 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.43 0.692 . . . . 0.0 111.448 177.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.7 pt -68.25 -34.84 68.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 0 O-C-N 121.518 -0.739 . . . . 0.0 111.407 177.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.56 -48.24 82.67 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 119.05 0.841 . . . . 0.0 112.909 172.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 31.4 mmmt -68.05 -37.04 80.87 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 121.235 -0.916 . . . . 0.0 112.092 177.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 30.0 tp -68.69 -29.59 68.07 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.396 1.079 . . . . 0.0 112.692 178.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.0 mt -76.74 -51.51 11.31 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.082 0.953 . . . . 0.0 112.063 169.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.7 m -85.23 14.82 4.78 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 115.148 1.536 . . . . 0.0 115.148 -170.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 25.5 pttm -58.6 -24.49 61.05 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 125.573 1.549 . . . . 0.0 114.934 178.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -143.09 134.01 25.49 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 125.686 1.595 . . . . 0.0 110.026 172.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.2 p -144.52 165.47 27.9 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 124.8 1.24 . . . . 0.0 112.977 -175.39 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.7 m -66.31 -22.64 66.29 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.684 1.594 . . . . 0.0 114.7 179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 71.97 -173.07 45.69 Favored Glycine 0 CA--C 1.54 1.633 0 C-N-CA 124.595 1.093 . . . . 0.0 114.487 -176.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 174.68 171.41 38.83 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.594 1.092 . . . . 0.0 113.551 179.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.8 m -75.8 -18.39 59.52 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.219 1.192 . . . . 0.0 114.219 -175.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 173.31 177.61 42.68 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.031 1.301 . . . . 0.0 113.537 179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -73.15 159.77 53.62 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 124.24 0.924 . . . . 0.0 113.955 176.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 69.9 p -79.7 157.67 27.14 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 124.848 1.259 . . . . 0.0 113.127 177.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -71.8 133.54 45.59 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.351 1.06 . . . . 0.0 110.908 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.8 mt -134.23 155.03 50.87 Favored 'General case' 0 CA--C 1.541 0.635 0 C-N-CA 125.987 1.715 . . . . 0.0 111.419 177.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 174.1 175.27 41.6 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.804 1.192 . . . . 0.0 113.324 178.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 177.42 170.64 40.02 Favored Glycine 0 CA--C 1.535 1.333 0 C-N-CA 124.422 1.011 . . . . 0.0 113.885 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.0 m -72.27 153.58 41.47 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.64 1.176 . . . . 0.0 112.972 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.78 163.13 52.17 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.079 0.847 . . . . 0.0 113.842 173.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 178.11 -167.43 38.14 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 124.361 0.981 . . . . 0.0 113.903 -178.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 85.9 p -77.51 175.16 10.09 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.059 1.343 . . . . 0.0 112.933 177.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 32.3 mtp-105 -67.1 -19.76 65.69 Favored 'General case' 0 N--CA 1.481 1.12 0 N-CA-C 114.457 1.281 . . . . 0.0 114.457 179.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . 0.332 0.0 OUTLIER 46.11 35.43 2.54 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 127.528 2.331 . . . . 0.0 114.995 -174.589 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.4 t0 -86.23 -12.38 49.83 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 125.272 1.429 . . . . 0.0 114.21 -169.522 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.5 mt 59.97 -178.41 0.09 Allowed 'General case' 0 CA--C 1.552 1.019 0 C-N-CA 126.87 2.068 . . . . 0.0 114.305 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.7 m -64.61 147.75 52.3 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.846 1.258 . . . . 0.0 113.073 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.9 p -78.0 -24.57 14.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 N-CA-C 113.705 1.002 . . . . 0.0 113.705 -177.066 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.7 mtpt -73.51 149.64 42.13 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.618 1.167 . . . . 0.0 112.389 -178.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 175.87 -164.88 35.22 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.923 1.249 . . . . 0.0 113.319 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 45.2 tpp -139.54 145.36 38.57 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 125.136 1.374 . . . . 0.0 111.583 177.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.6 mp -84.99 150.13 25.11 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.567 1.147 . . . . 0.0 112.105 -176.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.7 t80 -149.12 165.48 31.65 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.749 1.62 . . . . 0.0 110.958 174.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.8 144.29 56.95 Favored 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.793 0.837 . . . . 0.0 112.998 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 66.9 m -83.05 -8.37 59.55 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.718 1.377 . . . . 0.0 114.718 -174.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . 0.294 1.5 p30 55.8 -25.6 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 129.9 3.28 . . . . 0.0 117.694 -173.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.5 p -50.36 -42.7 53.56 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 126.534 1.934 . . . . 0.0 113.009 173.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 54.0 mm-40 -70.67 -34.82 72.42 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.421 0.688 . . . . 0.0 112.566 177.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 64.5 mt-30 -68.85 -44.35 73.56 Favored 'General case' 0 N--CA 1.472 0.651 0 O-C-N 121.501 -0.749 . . . . 0.0 111.439 175.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.8 mp -60.75 -49.23 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 123.118 0.567 . . . . 0.0 109.58 173.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.7 tp -60.16 -42.25 94.53 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 118.825 0.739 . . . . 0.0 112.599 178.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -60.81 -50.34 73.82 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-N 119.46 1.027 . . . . 0.0 111.761 175.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.5 tpp180 -68.04 -34.4 76.39 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 118.903 0.774 . . . . 0.0 112.434 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 69.1 tp -66.97 -45.25 78.28 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.128 0.971 . . . . 0.0 112.022 174.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.1 ttm-85 -69.84 -37.49 76.17 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-O 118.423 -0.799 . . . . 0.0 111.206 -179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 86.9 mt-10 -69.74 -40.02 76.42 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 119.604 1.093 . . . . 0.0 112.108 174.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 59.5 ttt180 -60.66 -40.52 92.36 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-N 119.305 0.957 . . . . 0.0 112.597 172.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 55.5 t -79.91 -45.25 22.9 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.0 t -79.64 -34.09 40.78 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.342 0.657 . . . . 0.0 112.481 -172.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -150.55 27.17 1.07 Allowed Glycine 0 CA--C 1.534 1.261 0 N-CA-C 115.351 0.9 . . . . 0.0 115.351 -173.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.1 m 54.67 21.37 3.43 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.958 1.836 . . . . 0.0 115.958 175.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 40.5 m 54.66 27.47 8.69 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-O 122.217 1.008 . . . . 0.0 112.845 -170.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.11 157.55 35.81 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 120.13 -1.606 . . . . 0.0 112.883 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.2 pm0 -73.34 -15.89 61.37 Favored 'General case' 0 CA--C 1.546 0.827 0 N-CA-C 114.276 1.213 . . . . 0.0 114.276 -177.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.3 t -150.88 152.19 33.31 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 125.569 1.547 . . . . 0.0 110.885 176.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.238 0 C-N-CA 125.891 1.676 . . . . 0.0 111.925 179.738 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 111.978 0.362 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.6 m -90.85 -12.82 9.28 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 N-CA-C 114.48 1.289 . . . . 0.0 114.48 -175.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.1 m -67.52 149.86 49.6 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.534 1.134 . . . . 0.0 113.321 -176.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 mp -75.12 136.68 24.55 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.727 0 C-N-CA 124.281 1.033 . . . . 0.0 109.368 177.096 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.2 tp -74.65 -34.55 62.75 Favored 'General case' 0 CA--C 1.545 0.767 0 N-CA-C 113.424 0.898 . . . . 0.0 113.424 -173.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -78.15 149.76 33.72 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.748 1.219 . . . . 0.0 112.208 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 26.1 m -87.14 -11.24 50.62 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 114.213 1.19 . . . . 0.0 114.213 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 41.7 p -77.75 156.6 30.47 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.241 1.416 . . . . 0.0 113.442 -178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 49.8 t -88.35 139.2 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.687 1.195 . . . . 0.0 110.542 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 62.0 t-20 -70.62 122.07 19.07 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.662 0.785 . . . . 0.0 110.711 176.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 34.1 p80 -64.73 -25.12 67.79 Favored 'General case' 0 N--CA 1.474 0.732 0 O-C-N 121.028 -1.045 . . . . 0.0 113.64 -178.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.18 -33.46 74.5 Favored 'General case' 0 N--CA 1.477 0.882 0 O-C-N 121.201 -0.937 . . . . 0.0 111.562 170.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -72.51 -33.81 67.16 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.732 0.813 . . . . 0.0 111.567 174.108 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.8 t -63.71 -41.15 91.62 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.221 0 O-C-N 121.487 -0.758 . . . . 0.0 110.693 169.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 28.2 t70 -65.62 -36.9 85.05 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.416 -0.802 . . . . 0.0 112.506 172.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -64.33 -40.26 95.54 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.06 -1.025 . . . . 0.0 111.819 172.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.57 -39.97 95.77 Favored 'General case' 0 CA--C 1.543 0.694 0 O-C-N 121.567 -0.708 . . . . 0.0 111.455 175.05 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.5 mt -58.71 -45.96 90.75 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 C-N-CA 123.671 0.788 . . . . 0.0 111.044 169.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.58 -36.67 84.44 Favored 'General case' 0 CA--C 1.545 0.769 0 CA-C-N 119.153 0.888 . . . . 0.0 112.438 179.296 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -65.59 -44.81 85.48 Favored 'General case' 0 CA--C 1.545 0.763 0 O-C-N 121.211 -0.931 . . . . 0.0 111.605 173.729 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 36.4 mt -60.81 -44.18 96.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 O-C-N 121.61 -0.681 . . . . 0.0 111.07 172.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.2 tp -60.16 -41.73 93.43 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.597 1.159 . . . . 0.0 111.989 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 76.8 mtt-85 -73.85 -40.34 63.34 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.926 0.89 . . . . 0.0 112.854 175.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -62.09 -40.48 95.99 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.212 1.005 . . . . 0.0 112.63 176.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 77.2 p -80.17 -7.82 59.13 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 173.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.9 t30 50.85 44.53 28.1 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 126.015 1.726 . . . . 0.0 112.747 -176.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 4.0 t -118.34 -175.64 2.91 Favored 'General case' 0 CA--C 1.543 0.678 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -169.7 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 4.0 t -113.33 144.87 42.02 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.55 1.54 . . . . 0.0 110.088 171.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -66.17 -23.46 66.46 Favored 'General case' 0 CA--C 1.539 0.523 0 O-C-N 120.346 -1.471 . . . . 0.0 113.592 -171.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -65.1 -32.31 73.94 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 120.153 1.342 . . . . 0.0 112.852 169.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -73.1 -34.79 66.39 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.279 -0.888 . . . . 0.0 111.855 170.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -64.74 -37.55 87.99 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 118.719 0.69 . . . . 0.0 111.393 171.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.26 -47.71 83.14 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 121.023 -1.048 . . . . 0.0 111.754 170.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.99 -39.46 94.79 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 177.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -67.74 -43.65 79.43 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 123.726 0.81 . . . . 0.0 112.039 175.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 70.2 mmm -65.34 -41.51 93.83 Favored 'General case' 0 N--CA 1.472 0.665 0 O-C-N 121.137 -0.977 . . . . 0.0 111.65 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -71.51 -29.92 65.35 Favored 'General case' 0 CA--C 1.544 0.728 0 O-C-N 121.248 -0.907 . . . . 0.0 111.933 178.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.7 m -73.44 -24.42 60.23 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.896 1.073 . . . . 0.0 113.896 172.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.1 p -110.35 4.5 20.78 Favored 'General case' 0 N--CA 1.485 1.281 0 N-CA-C 114.433 1.271 . . . . 0.0 114.433 -174.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.89 24.94 70.65 Favored Glycine 0 CA--C 1.533 1.213 0 O-C-N 121.384 -0.822 . . . . 0.0 113.829 178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.02 9.55 86.55 Favored Glycine 0 CA--C 1.53 0.981 0 N-CA-C 115.877 1.111 . . . . 0.0 115.877 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.9 mmt-85 -73.99 104.19 4.75 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-N 119.104 1.452 . . . . 0.0 110.251 175.633 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.4 p -58.7 -38.03 69.33 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.169 0 CA-C-N 118.626 0.648 . . . . 0.0 112.297 -174.206 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.3 ptm180 -61.73 -42.5 99.05 Favored 'General case' 0 N--CA 1.482 1.15 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 177.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.6 mt -75.04 -35.63 35.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.001 0.52 . . . . 0.0 109.987 179.055 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.35 -45.87 82.46 Favored 'General case' 0 CA--C 1.539 0.544 0 O-C-N 121.232 -0.917 . . . . 0.0 111.853 176.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.1 pt -68.16 -34.82 68.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 O-C-N 121.198 -0.939 . . . . 0.0 111.39 175.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.5 -43.95 93.22 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 119.087 0.858 . . . . 0.0 112.539 170.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.1 mmtt -67.01 -40.19 87.23 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 121.095 -1.003 . . . . 0.0 112.836 176.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.8 mt -61.86 -42.61 99.25 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.152 0.581 . . . . 0.0 111.985 174.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 90.3 mt -70.2 -32.76 70.81 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 123.205 0.602 . . . . 0.0 112.602 175.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 72.1 m -64.59 -21.65 66.76 Favored 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 43.1 mtmt -85.91 -5.86 59.16 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.272 1.212 . . . . 0.0 114.272 174.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.5 mm100 -84.62 162.05 19.91 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 124.174 0.99 . . . . 0.0 111.461 173.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 25.4 p -71.65 -33.7 69.11 Favored 'General case' 0 N--CA 1.48 1.075 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -178.869 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.5 t 62.29 150.57 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.426 2.29 . . . . 0.0 116.118 -177.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -87.74 -7.87 74.24 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 124.759 1.171 . . . . 0.0 114.18 169.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -76.05 168.58 54.8 Favored Glycine 0 CA--C 1.54 1.598 0 C-N-CA 124.879 1.228 . . . . 0.0 115.147 -177.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.1 m -135.56 155.83 49.85 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.1 1.76 . . . . 0.0 111.766 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -67.57 148.31 49.53 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.02 0.819 . . . . 0.0 113.54 177.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.13 -16.62 79.48 Favored Glycine 0 CA--C 1.538 1.484 0 C-N-CA 124.288 0.947 . . . . 0.0 115.446 -175.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.4 t 57.23 -173.95 0.08 Allowed 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.985 1.714 . . . . 0.0 114.184 -173.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -70.61 159.34 34.57 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.045 1.338 . . . . 0.0 113.211 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 91.6 mt -122.46 1.38 9.55 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.709 1.374 . . . . 0.0 114.709 -177.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 178.45 -159.78 25.32 Favored Glycine 0 CA--C 1.533 1.181 0 CA-C-N 119.351 0.978 . . . . 0.0 114.878 -178.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -79.51 -171.94 42.38 Favored Glycine 0 CA--C 1.54 1.596 0 C-N-CA 125.184 1.373 . . . . 0.0 114.332 175.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.4 p -74.9 163.12 27.99 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.88 1.272 . . . . 0.0 113.063 176.606 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 75.28 -164.15 54.21 Favored Glycine 0 CA--C 1.537 1.45 0 C-N-CA 124.153 0.882 . . . . 0.0 114.053 -177.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 73.23 17.94 79.02 Favored Glycine 0 CA--C 1.537 1.443 0 C-N-CA 124.046 0.832 . . . . 0.0 115.029 178.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 91.3 p -73.75 -7.37 51.85 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -171.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -74.8 -11.51 60.17 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.093 1.357 . . . . 0.0 113.981 -175.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -137.49 160.42 39.18 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.534 1.933 . . . . 0.0 112.07 176.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -150.1 152.23 34.43 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.17 1.388 . . . . 0.0 111.527 179.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -56.28 -38.74 71.61 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 124.264 1.025 . . . . 0.0 112.261 178.707 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 40.8 m -97.34 21.75 9.64 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.307 1.443 . . . . 0.0 113.828 -176.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 5.9 p -68.41 -26.41 33.59 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.125 0 O-C-N 121.14 -0.975 . . . . 0.0 113.387 179.222 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -75.05 151.49 38.69 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.778 1.231 . . . . 0.0 112.151 178.297 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -67.92 154.67 53.1 Favored Glycine 0 CA--C 1.538 1.526 0 C-N-CA 124.173 0.892 . . . . 0.0 114.033 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 45.8 tpp -147.42 150.13 34.04 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.344 1.458 . . . . 0.0 111.286 179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.1 mt -130.95 156.43 45.1 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.61 1.564 . . . . 0.0 112.053 -178.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -145.06 161.97 38.12 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.894 1.678 . . . . 0.0 111.699 179.102 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -148.49 132.79 17.47 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.027 1.331 . . . . 0.0 110.959 174.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 8.0 t -157.23 172.57 18.39 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.569 1.148 . . . . 0.0 111.945 178.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -77.91 26.91 0.19 Allowed 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 126.857 2.063 . . . . 0.0 114.353 -177.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 15.7 m -45.89 -47.95 16.13 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 114.815 1.413 . . . . 0.0 114.815 -171.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -71.23 -39.4 71.71 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.14 0.882 . . . . 0.0 113.014 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 9.5 tt0 -70.23 -43.12 71.26 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.062 0.945 . . . . 0.0 111.817 178.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 20.3 mm -60.35 -47.51 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 C-N-CA 124.217 1.007 . . . . 0.0 110.09 170.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 45.3 tp -56.56 -46.94 80.44 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 120.04 1.291 . . . . 0.0 111.611 175.381 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 48.8 t30 -57.87 -56.6 19.84 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 118.6 0.636 . . . . 0.0 111.004 179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 14.6 tpp85 -69.12 -28.17 66.22 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 121.006 -1.059 . . . . 0.0 112.942 -179.42 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -67.56 -47.34 70.09 Favored 'General case' 0 N--CA 1.468 0.425 0 O-C-N 120.965 -1.085 . . . . 0.0 111.0 175.583 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 45.5 mtp85 -61.47 -40.8 95.83 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 118.876 -0.583 . . . . 0.0 111.535 174.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 69.0 mt-10 -61.35 -47.78 84.31 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.239 0.927 . . . . 0.0 112.171 174.738 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 7.1 ttm180 -57.87 -46.26 85.13 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.007 0.923 . . . . 0.0 111.748 177.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 95.3 t -81.72 -38.38 15.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 122.999 0.52 . . . . 0.0 112.282 -172.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 69.1 m -74.21 -22.22 59.46 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 118.668 0.667 . . . . 0.0 112.486 173.395 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.38 10.21 48.59 Favored Glycine 0 CA--C 1.536 1.396 0 C-N-CA 125.296 1.427 . . . . 0.0 115.381 170.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.8 p -79.21 -0.42 31.95 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 114.442 1.275 . . . . 0.0 114.442 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 17.5 p -69.59 -21.45 63.59 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.371 1.069 . . . . 0.0 113.128 169.488 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -69.77 141.35 53.4 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.008 0.923 . . . . 0.0 112.296 176.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 40.6 mt-30 -89.48 -13.86 36.56 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -175.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 55.8 m -137.78 153.09 49.72 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.437 1.495 . . . . 0.0 112.212 -176.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.019 1.328 . . . . 0.0 112.888 176.004 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 112.054 0.39 . . . . 0.0 112.054 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.1 m -97.13 -10.74 8.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 N-CA-C 114.855 1.428 . . . . 0.0 114.855 -175.331 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -73.42 154.24 40.07 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 123.712 0.805 . . . . 0.0 112.567 179.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.8 154.16 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 125.032 1.333 . . . . 0.0 113.111 -177.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 86.1 mt -90.61 162.24 15.06 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.872 1.269 . . . . 0.0 112.069 175.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -71.62 -21.98 61.77 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.372 1.069 . . . . 0.0 113.726 179.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 53.3 m -135.25 155.13 51.15 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 126.147 1.779 . . . . 0.0 111.532 178.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 33.3 t -143.95 153.76 42.6 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.776 1.23 . . . . 0.0 112.478 179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.5 m -117.39 11.41 7.27 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.008 0 C-N-CA 125.812 1.645 . . . . 0.0 113.309 177.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 8.3 t30 -46.39 -43.22 16.09 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 125.774 1.63 . . . . 0.0 114.209 -173.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -70.51 -16.22 62.87 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 -173.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -62.76 -40.71 98.12 Favored 'General case' 0 N--CA 1.48 1.04 0 CA-C-N 119.64 1.109 . . . . 0.0 111.86 170.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -71.04 -32.86 69.72 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 123.138 0.575 . . . . 0.0 111.574 177.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.1 t -70.0 -42.95 79.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.834 0 C-N-CA 123.258 0.623 . . . . 0.0 111.222 173.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -61.65 -43.67 98.42 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.911 0.885 . . . . 0.0 111.573 174.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -61.26 -42.99 99.58 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.952 0.901 . . . . 0.0 112.283 172.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.85 -40.03 91.32 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.074 0.852 . . . . 0.0 111.978 177.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 35.6 mt -59.46 -47.89 89.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 C-N-CA 123.701 0.8 . . . . 0.0 110.76 171.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.96 -34.35 77.57 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-N 118.822 0.737 . . . . 0.0 112.777 178.662 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -64.29 -41.88 96.66 Favored 'General case' 0 CA--C 1.54 0.573 0 O-C-N 121.095 -1.003 . . . . 0.0 111.988 173.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.4 mt -64.25 -44.0 97.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 CA-C-N 118.718 0.69 . . . . 0.0 111.229 172.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 20.4 tp -57.6 -43.27 84.54 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 124.55 1.14 . . . . 0.0 111.654 177.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.5 tpp85 -71.44 -46.67 59.44 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.341 1.056 . . . . 0.0 112.404 176.074 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -59.68 -44.18 93.73 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.623 1.169 . . . . 0.0 112.836 -178.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.3 p -83.13 -7.15 59.67 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 47.5 t30 54.1 59.34 4.29 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.311 1.444 . . . . 0.0 111.554 -174.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 48.0 m -124.94 158.68 32.99 Favored 'General case' 0 N--CA 1.471 0.625 0 N-CA-C 114.246 1.202 . . . . 0.0 114.246 -173.201 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.7 p -83.67 160.4 21.34 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.41 0.624 . . . . 0.0 110.024 168.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -66.17 -33.35 75.56 Favored 'General case' 0 N--CA 1.469 0.505 0 O-C-N 120.682 -1.261 . . . . 0.0 112.247 178.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 21.8 pt20 -67.72 -35.52 78.92 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 118.798 -0.62 . . . . 0.0 112.586 171.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.1 mt-30 -64.62 -43.84 92.44 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 119.504 1.047 . . . . 0.0 111.672 172.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -69.75 -40.83 75.9 Favored 'General case' 0 N--CA 1.471 0.598 0 O-C-N 121.485 -0.76 . . . . 0.0 111.903 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -59.42 -48.1 82.92 Favored 'General case' 0 CA--C 1.536 0.414 0 O-C-N 121.72 -0.613 . . . . 0.0 111.059 172.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -61.47 -42.69 99.17 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.767 0.654 . . . . 0.0 112.767 177.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.59 -36.71 84.71 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.688 -0.632 . . . . 0.0 112.2 175.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 67.8 mmm -73.32 -38.44 65.8 Favored 'General case' 0 N--CA 1.47 0.528 0 O-C-N 121.282 -0.886 . . . . 0.0 112.911 176.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 81.8 mm-40 -65.27 -40.87 94.49 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.399 1.0 . . . . 0.0 112.131 172.062 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.5 t -67.69 -22.04 65.3 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.174 0.99 . . . . 0.0 113.646 178.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 71.9 p -109.93 1.36 19.08 Favored 'General case' 0 N--CA 1.481 1.078 0 N-CA-C 114.097 1.147 . . . . 0.0 114.097 -178.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 69.08 29.35 72.3 Favored Glycine 0 CA--C 1.537 1.454 0 O-C-N 121.465 -0.772 . . . . 0.0 113.899 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.9 12.73 79.22 Favored Glycine 0 N--CA 1.472 1.041 0 N-CA-C 115.551 0.98 . . . . 0.0 115.551 -178.477 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.5 mmt85 -78.08 91.75 4.32 Favored 'General case' 0 N--CA 1.48 1.067 0 CA-C-N 119.268 1.534 . . . . 0.0 109.628 175.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.7 t -53.31 -39.56 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.333 0 C-N-CA 123.729 0.812 . . . . 0.0 111.907 -175.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.3 ptm85 -61.77 -41.98 98.4 Favored 'General case' 0 N--CA 1.48 1.027 0 CA-C-N 119.474 1.033 . . . . 0.0 113.402 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.3 mt -75.33 -36.27 35.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 123.138 0.575 . . . . 0.0 109.83 178.272 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.72 -49.49 74.87 Favored 'General case' 0 CA--C 1.537 0.452 0 O-C-N 121.343 -0.848 . . . . 0.0 111.358 176.149 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.9 pt -66.55 -35.65 75.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 119.136 0.88 . . . . 0.0 111.544 176.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.48 -46.84 83.24 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 119.413 1.006 . . . . 0.0 112.223 170.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 29.9 mmmt -66.57 -32.72 74.24 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 113.479 0.918 . . . . 0.0 113.479 176.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 95.3 mt -72.06 -27.72 62.87 Favored 'General case' 0 CA--C 1.544 0.732 0 N-CA-C 112.703 0.631 . . . . 0.0 112.703 172.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.5 mt -81.04 -35.57 31.65 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.713 0.805 . . . . 0.0 112.704 174.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 87.1 p -85.06 14.76 4.65 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 125.202 1.401 . . . . 0.0 114.373 174.127 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -63.35 -20.32 65.41 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 127.797 2.439 . . . . 0.0 114.634 -176.001 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 32.7 tt0 60.81 45.46 9.84 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.999 1.72 . . . . 0.0 113.981 173.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 17.1 p -113.45 16.58 18.82 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 126.003 1.721 . . . . 0.0 113.759 -177.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.6 t -141.52 164.28 30.64 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 125.182 1.393 . . . . 0.0 112.481 -178.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 66.73 13.45 61.23 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 125.264 1.411 . . . . 0.0 115.82 175.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 68.98 15.1 69.01 Favored Glycine 0 CA--C 1.54 1.595 0 CA-C-N 118.245 1.023 . . . . 0.0 114.557 -173.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 21.5 t -71.47 148.75 46.52 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-N 118.364 1.082 . . . . 0.0 112.66 -176.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -170.87 152.64 19.03 Favored Glycine 0 CA--C 1.535 1.334 0 C-N-CA 124.972 1.272 . . . . 0.0 112.725 178.142 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.45 174.84 29.31 Favored Glycine 0 CA--C 1.54 1.615 0 C-N-CA 124.467 1.032 . . . . 0.0 114.622 -175.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 10.8 t -151.09 157.06 42.29 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.145 1.378 . . . . 0.0 112.086 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.52 163.59 34.24 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 126.089 1.755 . . . . 0.0 112.576 179.148 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 91.1 mt -72.84 150.38 42.75 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.253 1.021 . . . . 0.0 112.35 179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 174.76 -168.65 41.37 Favored Glycine 0 CA--C 1.535 1.311 0 C-N-CA 124.54 1.067 . . . . 0.0 113.756 -179.277 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 75.09 -167.65 54.88 Favored Glycine 0 CA--C 1.537 1.457 0 C-N-CA 124.466 1.031 . . . . 0.0 114.489 -179.616 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.6 p -145.63 161.72 39.18 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.472 1.509 . . . . 0.0 112.767 -177.026 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -80.02 -168.9 38.29 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 124.974 1.273 . . . . 0.0 114.786 179.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 85.99 7.0 81.42 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 124.694 1.14 . . . . 0.0 115.607 175.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 18.6 m -63.6 -17.2 62.63 Favored 'General case' 0 N--CA 1.478 0.945 0 N-CA-C 114.894 1.442 . . . . 0.0 114.894 -174.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 83.5 mtp180 -83.93 0.22 48.76 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.597 1.559 . . . . 0.0 114.342 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.4 pttt -62.58 159.61 15.54 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.906 1.282 . . . . 0.0 113.63 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.5 t70 -66.88 136.51 55.5 Favored 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.125 0.97 . . . . 0.0 112.225 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 98.6 mt -139.8 147.98 41.54 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.38 1.472 . . . . 0.0 111.695 -177.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 18.6 m -71.06 -10.39 59.67 Favored 'General case' 0 N--CA 1.48 1.029 0 N-CA-C 114.611 1.337 . . . . 0.0 114.611 -176.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 7.3 p -72.16 -14.67 17.49 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 C-N-CA 125.185 1.394 . . . . 0.0 113.501 -179.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.6 pttt -61.48 153.05 28.33 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.078 1.351 . . . . 0.0 113.662 -178.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 171.66 -172.31 44.54 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 124.945 1.26 . . . . 0.0 113.185 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 66.3 mtt -71.9 147.86 46.66 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 123.735 0.814 . . . . 0.0 111.748 175.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.4 mt -134.62 159.88 39.85 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.479 1.511 . . . . 0.0 111.917 -177.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 75.4 m-85 -73.54 163.88 27.42 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.469 1.108 . . . . 0.0 112.896 175.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -136.55 159.76 40.81 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.972 1.309 . . . . 0.0 111.619 177.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.0 m 59.21 -12.13 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 127.957 2.503 . . . . 0.0 117.03 -176.06 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -61.28 -34.23 74.85 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 120.616 -1.303 . . . . 0.0 112.53 177.313 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.0 p -54.87 -46.8 74.78 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 125.158 1.383 . . . . 0.0 112.173 170.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -70.8 -34.03 71.33 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.718 0.807 . . . . 0.0 111.728 177.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -66.62 -48.25 70.09 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.444 0.698 . . . . 0.0 111.734 177.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 49.9 mm -64.07 -43.65 97.56 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 O-C-N 121.601 -0.687 . . . . 0.0 110.544 174.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 49.3 tp -59.42 -43.79 92.99 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 118.92 0.782 . . . . 0.0 111.762 177.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 29.4 t-20 -61.53 -46.02 91.71 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.49 0.716 . . . . 0.0 111.667 174.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -65.61 -36.97 85.27 Favored 'General case' 0 N--CA 1.477 0.902 0 O-C-N 121.247 -0.908 . . . . 0.0 112.368 178.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 22.8 tp -69.93 -39.23 76.25 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.057 0.543 . . . . 0.0 112.129 175.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 96.8 mtt180 -60.05 -44.28 94.78 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.243 0.929 . . . . 0.0 110.988 173.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -63.57 -49.91 71.56 Favored 'General case' 0 CA--C 1.541 0.615 0 O-C-N 122.108 -0.37 . . . . 0.0 111.899 175.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -60.56 -42.67 97.1 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.603 0.761 . . . . 0.0 113.012 -178.282 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 35.4 t -91.1 -37.22 8.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 C-N-CA 123.249 0.62 . . . . 0.0 112.638 -172.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.5 m -104.96 -14.86 15.3 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 114.473 1.286 . . . . 0.0 114.473 -175.102 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -64.2 -18.85 63.29 Favored Glycine 0 N--CA 1.476 1.354 0 CA-C-N 119.786 1.176 . . . . 0.0 115.01 -179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 18.5 m -61.97 -10.41 9.64 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.681 1.592 . . . . 0.0 114.665 178.015 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 6.3 t -67.88 -23.14 65.09 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 124.111 0.964 . . . . 0.0 113.095 172.179 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -74.74 152.52 39.07 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.2 1.0 . . . . 0.0 113.051 178.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -77.34 -27.45 52.74 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.923 0.889 . . . . 0.0 112.883 179.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 31.4 m -67.61 149.24 50.34 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.614 1.166 . . . . 0.0 113.266 -178.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.313 0 C-N-CA 125.999 1.72 . . . . 0.0 112.047 177.955 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 28.3 m . . . . . 0 N--CA 1.491 1.608 0 N-CA-C 112.235 0.457 . . . . 0.0 112.235 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.9 m -116.94 -1.14 9.16 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 N-CA-C 115.335 1.606 . . . . 0.0 115.335 -173.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 t -72.96 135.74 45.05 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.919 1.081 . . . . 0.0 113.919 -171.126 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 3.7 mm -83.8 -17.75 10.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 124.664 1.186 . . . . 0.0 110.724 175.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 46.3 mt -75.11 -33.36 61.58 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 120.993 -1.067 . . . . 0.0 111.295 169.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.7 mtt-85 -83.48 -34.28 25.39 Favored 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 113.105 0.78 . . . . 0.0 113.105 174.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 66.5 m -129.94 73.88 1.55 Allowed 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.824 1.649 . . . . 0.0 110.545 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.1 m -71.82 147.73 46.92 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.913 1.285 . . . . 0.0 112.575 -178.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 30.1 m -133.68 155.25 39.89 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.025 0 C-N-CA 125.656 1.583 . . . . 0.0 111.501 177.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -77.69 153.96 32.56 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.827 0.851 . . . . 0.0 111.808 177.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -52.81 -38.65 61.55 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.04 0.936 . . . . 0.0 112.929 176.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 91.5 mtm180 -62.64 -30.88 71.69 Favored 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 179.276 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.4 mm-40 -73.27 -40.92 64.21 Favored 'General case' 0 N--CA 1.472 0.631 0 CA-C-N 118.402 0.547 . . . . 0.0 111.602 176.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.5 t -65.64 -44.42 93.59 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.358 0.663 . . . . 0.0 110.76 174.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -63.51 -44.93 92.85 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 123.784 0.834 . . . . 0.0 111.88 177.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 43.3 tp10 -63.26 -38.8 92.59 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.995 172.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.22 99.38 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 120.479 1.491 . . . . 0.0 111.925 177.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.4 mt -60.68 -48.79 87.18 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 123.413 0.685 . . . . 0.0 111.002 173.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -70.7 -29.59 65.92 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 113.064 0.765 . . . . 0.0 113.064 -177.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -68.91 -40.6 79.02 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 124.795 1.238 . . . . 0.0 111.436 170.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.5 mt -62.74 -44.1 99.21 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 CA-C-N 118.959 0.8 . . . . 0.0 110.571 172.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 52.5 tp -57.27 -45.5 83.99 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 124.198 0.999 . . . . 0.0 111.833 176.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 21.0 mtm180 -63.76 -50.1 70.37 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.305 1.042 . . . . 0.0 112.691 173.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 57.9 t80 -61.67 -43.81 98.15 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 124.432 1.093 . . . . 0.0 112.729 -178.017 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 70.8 p -76.85 -5.19 47.34 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.614 0.968 . . . . 0.0 113.614 177.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.9 t30 54.18 35.29 22.15 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.366 1.067 . . . . 0.0 112.429 -179.039 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.1 p -108.86 172.38 6.88 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.461 1.104 . . . . 0.0 113.439 -169.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -104.91 149.48 25.68 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.036 0.934 . . . . 0.0 109.991 168.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.18 -24.76 66.69 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 121.009 -1.057 . . . . 0.0 113.242 -170.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -60.57 -42.36 96.47 Favored 'General case' 0 N--CA 1.473 0.685 0 O-C-N 121.613 -0.679 . . . . 0.0 111.642 169.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.6 mm100 -75.37 -30.73 60.28 Favored 'General case' 0 N--CA 1.465 0.316 0 O-C-N 121.667 -0.646 . . . . 0.0 112.436 176.091 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -65.06 -40.14 94.29 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.459 1.027 . . . . 0.0 111.303 170.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.03 -46.49 87.35 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 121.048 -1.033 . . . . 0.0 111.577 171.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.19 -40.71 96.95 Favored 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.88 0.696 . . . . 0.0 112.88 177.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.21 -42.62 79.57 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 123.549 0.74 . . . . 0.0 111.76 177.178 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 78.6 mmm -65.28 -40.92 94.5 Favored 'General case' 0 N--CA 1.473 0.72 0 O-C-N 121.221 -0.924 . . . . 0.0 111.912 175.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -70.61 -34.84 72.56 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.254 -0.904 . . . . 0.0 112.203 178.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.1 m -73.05 -24.56 60.71 Favored 'General case' 0 N--CA 1.48 1.044 0 N-CA-C 113.887 1.069 . . . . 0.0 113.887 176.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.8 p -102.49 -0.99 31.42 Favored 'General case' 0 N--CA 1.483 1.185 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 -178.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.69 26.07 68.26 Favored Glycine 0 CA--C 1.533 1.21 0 O-C-N 121.707 -0.621 . . . . 0.0 113.778 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.49 15.74 70.44 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-O 118.901 -0.944 . . . . 0.0 115.276 178.251 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -83.74 103.07 12.73 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 119.364 1.582 . . . . 0.0 110.363 174.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 45.1 t -53.61 -41.71 47.5 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 124.001 0.921 . . . . 0.0 111.319 -178.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -59.65 -43.56 93.86 Favored 'General case' 0 N--CA 1.479 1.025 0 N-CA-C 113.692 0.997 . . . . 0.0 113.692 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.7 mt -75.56 -36.46 34.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 N-CA-C 109.685 -0.487 . . . . 0.0 109.685 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.61 -48.76 76.0 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.442 -0.787 . . . . 0.0 111.783 176.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 17.4 pt -66.59 -36.81 78.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 O-C-N 121.348 -0.845 . . . . 0.0 111.457 176.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -57.87 -49.62 76.09 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 118.864 0.756 . . . . 0.0 112.395 171.481 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -62.95 -39.49 94.78 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 121.265 -0.897 . . . . 0.0 112.4 178.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 87.3 mt -67.11 -39.66 86.72 Favored 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 177.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.3 pp -83.92 -40.89 18.0 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.203 0.91 . . . . 0.0 113.021 -177.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.3 m -66.1 -22.5 66.41 Favored 'General case' 0 N--CA 1.481 1.103 0 CA-C-N 119.582 1.083 . . . . 0.0 113.223 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.8 tppt? -64.42 -25.11 67.87 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.956 1.302 . . . . 0.0 112.841 169.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 50.3 mt-30 -107.79 -41.47 4.98 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 125.378 1.471 . . . . 0.0 113.596 -175.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 8.4 t -158.71 151.75 22.45 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.495 1.118 . . . . 0.0 112.468 -171.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.4 m -78.45 52.22 1.13 Allowed 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 125.433 1.493 . . . . 0.0 112.595 179.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.21 167.44 46.58 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 125.068 1.318 . . . . 0.0 114.514 -178.015 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.18 11.68 85.1 Favored Glycine 0 CA--C 1.538 1.498 0 C-N-CA 124.308 0.956 . . . . 0.0 115.101 -179.135 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 78.5 p -77.65 163.19 26.43 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.241 1.417 . . . . 0.0 113.159 178.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.8 -165.61 54.77 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 124.575 1.083 . . . . 0.0 114.614 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -72.42 166.01 54.09 Favored Glycine 0 CA--C 1.538 1.525 0 C-N-CA 124.599 1.095 . . . . 0.0 114.494 -179.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 43.0 m -66.54 152.81 44.49 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.82 1.248 . . . . 0.0 113.205 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.2 pptp? -64.64 147.92 51.98 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 124.31 1.044 . . . . 0.0 112.752 177.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 86.4 mt -87.49 148.44 24.93 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 124.412 1.085 . . . . 0.0 112.053 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.59 -173.33 47.13 Favored Glycine 0 CA--C 1.537 1.454 0 C-N-CA 124.395 0.998 . . . . 0.0 114.599 -178.66 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 178.81 -174.45 46.59 Favored Glycine 0 CA--C 1.537 1.455 0 C-N-CA 125.247 1.403 . . . . 0.0 113.12 -178.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.5 m -65.23 141.03 58.78 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 124.066 0.946 . . . . 0.0 112.873 -178.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -75.32 157.3 49.56 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.154 0.883 . . . . 0.0 114.232 179.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -74.63 -9.67 82.5 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.548 1.07 . . . . 0.0 115.124 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.6 m -77.52 -4.66 46.79 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 125.374 1.47 . . . . 0.0 114.675 -176.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 19.6 mtp-105 -66.08 159.94 24.96 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 124.76 1.224 . . . . 0.0 113.71 -179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -129.28 155.25 45.89 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 127.237 2.215 . . . . 0.0 110.007 168.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -137.1 154.7 50.23 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 125.194 1.398 . . . . 0.0 111.535 176.359 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 94.6 mt -90.46 171.25 9.56 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.423 1.089 . . . . 0.0 111.819 177.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 97.4 p -140.65 164.23 30.74 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 125.245 1.418 . . . . 0.0 111.344 172.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . 0.275 15.6 m 54.03 -2.33 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.267 0 C-N-CA 129.512 3.125 . . . . 0.0 118.111 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -80.76 -20.92 41.59 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.597 1.159 . . . . 0.0 112.955 171.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.75 179.22 41.44 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.816 1.198 . . . . 0.0 113.672 172.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 12.0 tpt -124.38 -9.75 7.48 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 114.744 1.387 . . . . 0.0 114.744 -175.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 96.3 mt -131.19 142.81 50.25 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.38 1.072 . . . . 0.0 112.813 -169.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.6 p90 -91.51 -17.12 26.17 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 124.366 1.066 . . . . 0.0 112.841 169.032 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -80.68 169.0 18.19 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 124.812 1.245 . . . . 0.0 112.319 173.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 43.8 m -54.04 156.8 2.8 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 126.476 1.91 . . . . 0.0 114.874 179.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -65.53 -13.85 59.8 Favored 'General case' 0 N--CA 1.473 0.711 0 N-CA-C 115.231 1.567 . . . . 0.0 115.231 -176.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.7 p -53.88 -39.24 65.55 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 124.676 1.191 . . . . 0.0 113.011 176.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 43.4 mt-30 -67.95 -37.41 81.54 Favored 'General case' 0 N--CA 1.471 0.599 0 O-C-N 121.518 -0.739 . . . . 0.0 112.882 175.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 7.7 tp-100 -71.81 -39.21 70.01 Favored 'General case' 0 N--CA 1.474 0.769 0 O-C-N 121.307 -0.87 . . . . 0.0 111.564 176.486 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.8 mm -60.68 -46.71 95.39 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 123.619 0.768 . . . . 0.0 110.463 171.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 54.8 tp -59.75 -46.03 90.4 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 118.913 0.778 . . . . 0.0 112.055 174.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -59.77 -52.12 66.81 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 118.624 0.647 . . . . 0.0 111.498 179.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 6.3 mmp_? -68.29 -31.82 71.53 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 179.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -67.72 -49.1 64.37 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 119.456 1.025 . . . . 0.0 111.033 174.038 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 42.6 ttt85 -65.42 -31.88 73.2 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 122.982 0.513 . . . . 0.0 111.763 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.86 -46.84 64.67 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 118.479 0.581 . . . . 0.0 112.161 171.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 14.8 mtp180 -55.62 -37.41 68.13 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.781 0.833 . . . . 0.0 112.78 175.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 62.0 t -92.95 -43.13 13.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -176.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.4 m -123.72 7.3 8.79 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 114.781 1.4 . . . . 0.0 114.781 -168.633 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -65.32 155.63 49.15 Favored Glycine 0 CA--C 1.538 1.522 0 O-C-N 121.019 -1.05 . . . . 0.0 114.019 176.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 50.1 m 49.24 -98.22 0.05 OUTLIER 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 126.658 1.983 . . . . 0.0 113.998 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 64.4 p -90.14 -13.76 35.01 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.037 1.335 . . . . 0.0 114.063 -177.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 52.83 29.64 7.94 Favored 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 125.659 1.583 . . . . 0.0 113.928 -169.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -140.59 148.4 40.88 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 125.317 1.447 . . . . 0.0 111.772 -172.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 53.5 p -73.67 156.42 37.99 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.74 1.216 . . . . 0.0 113.448 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.386 0 C-N-CA 124.842 1.257 . . . . 0.0 112.937 178.385 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 26.5 m . . . . . 0 N--CA 1.488 1.453 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 p -79.03 -26.38 13.21 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 123.77 0.828 . . . . 0.0 113.179 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.0 p -72.58 156.42 39.01 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 125.371 1.468 . . . . 0.0 113.114 176.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 pp -137.23 160.21 35.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 126.643 1.977 . . . . 0.0 111.707 -177.215 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.2 mt -77.03 -29.23 55.2 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -179.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 3.8 ptm180 -152.65 153.92 34.28 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 125.657 1.583 . . . . 0.0 113.111 176.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 79.1 p -126.16 -7.11 6.53 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.901 1.681 . . . . 0.0 113.45 169.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.7 p -88.87 166.2 14.13 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 126.513 1.925 . . . . 0.0 113.043 -178.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 16.9 m -127.94 167.7 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 126.486 1.914 . . . . 0.0 111.84 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 41.8 t30 -115.7 146.85 41.5 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.498 1.519 . . . . 0.0 111.389 -179.019 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -60.42 -17.11 42.18 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.433 1.093 . . . . 0.0 113.798 179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 53.3 ttt85 -50.16 -34.12 21.35 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.763 1.225 . . . . 0.0 112.084 167.011 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -66.83 -35.3 79.73 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.514 0.726 . . . . 0.0 112.526 176.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 6.7 t -73.08 -42.58 59.04 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.848 0 O-C-N 121.66 -0.65 . . . . 0.0 110.256 174.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -60.07 -40.49 89.68 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 118.45 0.568 . . . . 0.0 112.328 172.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -62.6 -41.53 99.02 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.116 0.966 . . . . 0.0 112.061 172.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.18 -42.27 99.34 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-N 119.711 1.141 . . . . 0.0 111.958 176.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 39.0 mm -60.18 -48.63 87.29 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 123.004 0.521 . . . . 0.0 110.83 172.516 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -62.24 -34.44 76.51 Favored 'General case' 0 CA--C 1.544 0.75 0 C-N-CA 123.744 0.817 . . . . 0.0 112.96 177.515 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -72.07 -41.52 67.27 Favored 'General case' 0 CA--C 1.537 0.458 0 O-C-N 120.99 -1.069 . . . . 0.0 112.018 177.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 43.0 mt -62.75 -44.9 99.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 CA-C-N 118.887 0.767 . . . . 0.0 110.797 170.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.4 tp -55.65 -45.2 77.69 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 124.559 1.143 . . . . 0.0 111.841 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 38.7 mtm105 -69.57 -45.86 67.7 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.784 0.834 . . . . 0.0 112.864 174.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.3 m-30 -60.56 -35.93 77.23 Favored 'General case' 0 N--CA 1.477 0.886 0 CA-C-N 119.337 0.971 . . . . 0.0 112.378 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.4 p -86.85 -0.94 57.34 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 113.82 1.044 . . . . 0.0 113.82 177.165 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.1 m-80 50.42 37.42 15.56 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.701 1.6 . . . . 0.0 112.912 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 84.9 p -114.31 175.72 5.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.44 1.096 . . . . 0.0 113.549 -168.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 8.9 t -104.79 150.61 24.65 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.678 0.791 . . . . 0.0 109.394 166.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -62.94 -22.27 66.66 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 120.628 -1.295 . . . . 0.0 114.02 -169.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -66.59 -34.28 77.53 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 121.368 -0.833 . . . . 0.0 112.592 169.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -72.12 -39.78 68.6 Favored 'General case' 0 N--CA 1.475 0.805 0 O-C-N 121.321 -0.862 . . . . 0.0 111.118 174.371 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -63.5 -41.65 98.54 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 122.708 0.403 . . . . 0.0 111.101 173.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.96 -49.3 77.25 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 123.498 0.719 . . . . 0.0 111.579 172.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -62.45 -39.76 94.41 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.638 0.607 . . . . 0.0 112.638 179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.98 -39.51 87.18 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.436 0.694 . . . . 0.0 112.31 175.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.2 mmm -69.43 -41.16 76.69 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.185 -0.947 . . . . 0.0 111.944 174.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -64.16 -37.83 88.85 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.79 0.836 . . . . 0.0 111.442 176.096 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 50.9 m -72.5 -19.73 61.48 Favored 'General case' 0 N--CA 1.476 0.875 0 N-CA-C 113.849 1.055 . . . . 0.0 113.849 178.318 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 62.7 p -112.45 -0.19 15.37 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.643 1.177 . . . . 0.0 114.038 -176.366 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.71 28.25 69.48 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.277 -0.889 . . . . 0.0 113.47 -177.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 82.27 14.36 76.81 Favored Glycine 0 CA--C 1.532 1.123 0 N-CA-C 115.496 0.958 . . . . 0.0 115.496 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 41.8 mmt-85 -76.95 93.0 3.72 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 119.33 1.565 . . . . 0.0 109.727 175.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.5 t -51.35 -44.9 32.5 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 124.155 0.982 . . . . 0.0 111.829 -174.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -60.04 -42.31 94.15 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 179.098 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 38.7 mt -74.6 -38.38 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 123.314 0.646 . . . . 0.0 109.865 179.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.96 -49.53 74.37 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 123.829 0.852 . . . . 0.0 111.436 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.9 pt -68.6 -36.3 73.95 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 O-C-N 121.599 -0.688 . . . . 0.0 110.903 177.209 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.72 -47.56 85.74 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.379 0.99 . . . . 0.0 113.104 174.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.3 mttt -69.01 -39.32 79.36 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.691 -0.631 . . . . 0.0 111.975 177.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 33.9 tp -66.75 -34.58 78.15 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 123.442 0.697 . . . . 0.0 112.72 176.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 54.6 mt -68.57 -41.19 80.09 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.885 0.874 . . . . 0.0 112.193 169.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.9 t -61.29 -36.94 81.47 Favored 'General case' 0 N--CA 1.475 0.792 0 O-C-N 121.507 -0.745 . . . . 0.0 112.144 174.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -87.38 11.64 14.03 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.859 1.664 . . . . 0.0 114.854 177.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -74.75 44.1 0.21 Allowed 'General case' 0 CA--C 1.555 1.164 0 C-N-CA 125.876 1.67 . . . . 0.0 113.388 -178.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.5 t -157.16 -9.8 0.09 Allowed 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 127.153 2.181 . . . . 0.0 112.8 -177.241 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.7 m -94.65 9.77 37.49 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 114.98 1.474 . . . . 0.0 114.98 -169.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.84 148.8 50.76 Favored Glycine 0 CA--C 1.54 1.633 0 C-N-CA 124.261 0.934 . . . . 0.0 113.908 -179.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -73.52 160.42 53.69 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.449 1.023 . . . . 0.0 114.279 -178.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 77.8 p -91.26 -8.9 47.06 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 125.364 1.465 . . . . 0.0 114.629 -178.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -69.5 163.23 51.66 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.681 1.134 . . . . 0.0 114.586 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -73.76 173.3 50.06 Favored Glycine 0 CA--C 1.538 1.471 0 C-N-CA 124.579 1.085 . . . . 0.0 114.467 177.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 83.9 p -141.56 162.46 35.42 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 125.82 1.648 . . . . 0.0 112.737 -179.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -67.93 137.4 55.16 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.483 1.113 . . . . 0.0 111.269 178.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 95.8 mt -127.12 148.79 50.15 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 125.543 1.537 . . . . 0.0 111.282 175.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.64 -168.11 49.64 Favored Glycine 0 CA--C 1.54 1.595 0 C-N-CA 124.239 0.923 . . . . 0.0 114.77 -179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 80.0 177.85 51.07 Favored Glycine 0 CA--C 1.538 1.509 0 C-N-CA 124.822 1.201 . . . . 0.0 114.482 -177.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 37.2 m -68.79 151.48 46.57 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.752 1.221 . . . . 0.0 113.392 -175.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.07 177.94 38.04 Favored Glycine 0 CA--C 1.541 1.669 0 C-N-CA 124.357 0.98 . . . . 0.0 114.235 174.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -67.35 160.32 49.28 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 124.336 0.97 . . . . 0.0 114.274 177.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.6 p -82.38 -19.32 39.38 Favored 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 114.477 1.288 . . . . 0.0 114.477 -177.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 85.1 mtm-85 -88.08 152.79 21.76 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 125.094 1.358 . . . . 0.0 112.405 175.13 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -146.16 167.15 24.14 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 126.368 1.867 . . . . 0.0 112.554 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -69.47 160.27 31.73 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.16 0.984 . . . . 0.0 113.101 177.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -134.29 160.74 36.98 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 125.952 1.701 . . . . 0.0 114.479 -169.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 69.6 m -126.81 88.46 2.82 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.285 1.434 . . . . 0.0 111.005 178.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 33.7 m -130.02 168.5 22.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.051 0 C-N-CA 125.498 1.519 . . . . 0.0 111.308 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -119.72 139.87 51.59 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.858 1.263 . . . . 0.0 112.08 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -163.43 -179.22 37.72 Favored Glycine 0 CA--C 1.536 1.349 0 C-N-CA 125.215 1.388 . . . . 0.0 113.829 176.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 77.3 mtm -79.84 159.88 26.3 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.504 1.122 . . . . 0.0 112.243 178.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 58.3 tp -56.41 126.84 28.19 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.714 1.206 . . . . 0.0 112.626 -176.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -78.82 -34.18 45.51 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 -173.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.3 t0 60.45 171.3 0.09 Allowed 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 126.43 1.892 . . . . 0.0 113.783 -169.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.3 m -76.15 47.37 0.45 Allowed 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 125.788 1.635 . . . . 0.0 112.292 178.222 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -84.7 129.39 34.84 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 126.525 1.93 . . . . 0.0 113.317 -171.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 23.8 p -58.21 -42.69 86.75 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 124.964 1.306 . . . . 0.0 113.466 -179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -71.04 -43.13 68.49 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -174.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -67.04 -39.32 86.92 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 119.137 0.881 . . . . 0.0 112.139 175.505 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.85 -45.56 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.784 0 CA-C-N 118.568 0.622 . . . . 0.0 110.905 174.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 57.9 tp -58.7 -47.02 85.97 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.666 -0.646 . . . . 0.0 111.731 174.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -60.95 -49.86 75.74 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.445 0.566 . . . . 0.0 111.264 177.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 10.1 tpp85 -65.21 -36.17 83.33 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.342 0.974 . . . . 0.0 112.614 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.6 tp -61.55 -45.97 91.92 Favored 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 119.194 0.906 . . . . 0.0 110.891 173.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.5 ttt85 -69.44 -38.12 77.68 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.231 0.612 . . . . 0.0 111.97 -176.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 61.3 mt-10 -60.4 -52.46 65.15 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 118.438 0.563 . . . . 0.0 110.719 170.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 19.0 ttt-85 -58.64 -43.77 89.85 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.384 1.074 . . . . 0.0 112.682 -176.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.2 p -94.83 -31.53 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.883 0 N-CA-C 114.486 1.291 . . . . 0.0 114.486 -172.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 55.6 m -122.43 -9.27 8.54 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 114.446 1.276 . . . . 0.0 114.446 -170.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -69.34 155.27 53.44 Favored Glycine 0 CA--C 1.538 1.489 0 CA-C-N 119.961 1.255 . . . . 0.0 113.745 178.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.2 p -94.95 142.92 26.91 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.864 1.266 . . . . 0.0 112.477 175.436 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 70.5 m -145.91 134.59 22.24 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.363 1.465 . . . . 0.0 109.994 179.186 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -147.49 162.81 38.29 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 124.898 1.279 . . . . 0.0 112.487 -177.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 40.1 tp60 -141.51 133.81 28.02 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 125.513 1.525 . . . . 0.0 110.781 177.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 20.4 m -81.57 -26.21 35.17 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 114.601 1.334 . . . . 0.0 114.601 -172.004 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.346 0 C-N-CA 125.709 1.604 . . . . 0.0 112.314 -178.944 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.5 m . . . . . 0 N--CA 1.491 1.586 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 34.6 m -83.08 -12.59 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 N-CA-C 114.387 1.255 . . . . 0.0 114.387 -175.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.3 p -69.23 156.47 38.68 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.926 1.29 . . . . 0.0 112.604 173.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.409 ' H ' HD13 ' A' ' 4' ' ' ILE . 0.2 OUTLIER -89.44 -11.27 10.25 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 N-CA-C 114.886 1.439 . . . . 0.0 114.886 -173.157 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 81.2 mt -79.95 142.4 35.12 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.997 0.919 . . . . 0.0 112.026 -175.705 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 90.6 mmt-85 -142.09 158.73 43.41 Favored 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 125.949 1.7 . . . . 0.0 111.352 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 35.4 m -67.06 151.7 47.14 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.408 1.083 . . . . 0.0 112.671 177.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.0 p -74.13 156.56 37.25 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.253 1.021 . . . . 0.0 112.768 175.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 35.4 m -128.68 17.97 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.271 0 C-N-CA 124.995 1.318 . . . . 0.0 113.572 -173.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -70.23 154.49 41.85 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 123.971 0.908 . . . . 0.0 112.021 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -59.07 -25.65 63.95 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -173.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.36 -33.72 71.51 Favored 'General case' 0 N--CA 1.485 1.284 0 CA-C-N 119.676 1.126 . . . . 0.0 112.886 172.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.5 mm-40 -66.78 -37.38 84.46 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.759 0.709 . . . . 0.0 111.271 176.573 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 11.6 t -76.38 -38.54 32.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.426 0.69 . . . . 0.0 111.205 178.334 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 61.7 m-20 -60.03 -43.73 95.1 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 121.569 -0.707 . . . . 0.0 111.583 170.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -63.31 -43.11 98.75 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 123.365 0.666 . . . . 0.0 111.993 174.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.6 -43.71 98.13 Favored 'General case' 0 CA--C 1.544 0.734 0 O-C-N 121.537 -0.727 . . . . 0.0 111.741 176.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.4 mt -59.72 -49.16 84.82 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-O 118.68 -0.676 . . . . 0.0 110.302 175.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -59.66 -39.3 83.99 Favored 'General case' 0 CA--C 1.539 0.553 0 CA-C-N 119.11 0.868 . . . . 0.0 112.722 176.242 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -62.61 -45.87 90.86 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 118.617 0.644 . . . . 0.0 111.802 176.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -63.72 -42.4 95.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 CA-C-N 118.352 0.524 . . . . 0.0 110.435 173.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.3 tp -60.01 -44.65 94.45 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.308 1.043 . . . . 0.0 111.872 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.2 ptp180 -76.04 -33.36 59.61 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 113.626 0.973 . . . . 0.0 113.626 174.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 81.0 t80 -63.26 -40.93 98.78 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.983 0.81 . . . . 0.0 112.759 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 74.9 p -88.34 -11.08 47.33 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 114.329 1.233 . . . . 0.0 114.329 177.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.4 t30 55.81 17.09 2.31 Favored 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 125.391 1.476 . . . . 0.0 114.039 -169.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 97.3 p -81.91 170.72 15.3 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 120.706 -1.246 . . . . 0.0 113.22 -174.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 33.9 p -88.61 159.74 17.74 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 109.164 -0.68 . . . . 0.0 109.164 167.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -65.89 -27.85 68.51 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 120.088 -1.632 . . . . 0.0 111.956 176.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -65.63 -43.86 88.22 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.591 -0.693 . . . . 0.0 111.805 170.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -62.79 -40.9 98.75 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.104 0.562 . . . . 0.0 111.449 174.33 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -67.08 -42.98 83.73 Favored 'General case' 0 CA--C 1.542 0.651 0 O-C-N 121.719 -0.613 . . . . 0.0 112.239 176.445 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.27 -45.33 94.95 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.941 0.791 . . . . 0.0 110.887 175.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -63.53 -39.92 95.69 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 123.59 0.756 . . . . 0.0 112.946 175.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.06 -38.6 88.75 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.621 -0.674 . . . . 0.0 112.285 175.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.5 mmm -66.46 -42.84 86.97 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 121.26 -0.9 . . . . 0.0 111.915 173.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -63.6 -36.54 84.16 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.505 1.048 . . . . 0.0 112.418 172.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.9 m -70.76 -23.54 62.43 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 178.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 51.9 p -108.14 2.26 22.8 Favored 'General case' 0 N--CA 1.481 1.096 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -177.49 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.49 23.72 64.53 Favored Glycine 0 CA--C 1.535 1.342 0 O-C-N 121.755 -0.591 . . . . 0.0 114.138 177.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 77.28 58.68 3.3 Favored Glycine 0 CA--C 1.53 1.018 0 C-N-CA 124.078 0.847 . . . . 0.0 113.586 178.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -138.44 107.65 6.08 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 124.085 0.954 . . . . 0.0 111.021 177.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 90.9 t -59.04 -43.27 88.63 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.447 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -168.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 41.1 ptt180 -63.63 -37.89 89.03 Favored 'General case' 0 N--CA 1.483 1.199 0 CA-C-N 119.901 1.228 . . . . 0.0 113.2 -179.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.4 mm -73.01 -37.7 54.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.791 0 C-N-CA 123.444 0.698 . . . . 0.0 110.006 177.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.7 -45.74 81.62 Favored 'General case' 0 CA--C 1.538 0.505 0 O-C-N 121.499 -0.751 . . . . 0.0 111.957 178.387 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 12.3 pt -68.88 -35.93 71.72 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 O-C-N 121.441 -0.787 . . . . 0.0 111.236 175.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.57 -45.82 88.21 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 119.231 0.923 . . . . 0.0 112.383 171.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 71.8 mmtt -68.9 -33.95 74.61 Favored 'General case' 0 N--CA 1.479 1.016 0 N-CA-C 113.208 0.818 . . . . 0.0 113.208 177.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 65.9 mt -65.21 -37.8 88.42 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 118.305 0.502 . . . . 0.0 112.049 171.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 91.6 mt -79.62 -41.81 26.25 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 113.311 0.856 . . . . 0.0 113.311 179.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 93.9 p -67.5 -26.28 66.27 Favored 'General case' 0 N--CA 1.475 0.813 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -173.198 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -75.71 -11.29 59.97 Favored 'General case' 0 N--CA 1.478 0.96 0 N-CA-C 114.103 1.149 . . . . 0.0 114.103 173.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 33.7 mm-40 53.27 41.0 32.15 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.789 1.636 . . . . 0.0 114.017 177.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 10.2 t -150.02 138.03 20.26 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.203 1.401 . . . . 0.0 110.735 176.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 85.4 p -159.79 154.57 24.43 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.182 0.993 . . . . 0.0 112.917 -173.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 75.95 -164.97 54.01 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 123.78 0.705 . . . . 0.0 113.973 174.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 179.24 169.88 40.34 Favored Glycine 0 CA--C 1.538 1.473 0 C-N-CA 124.872 1.225 . . . . 0.0 113.163 179.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 49.3 m -70.48 140.59 51.94 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.157 0.983 . . . . 0.0 112.548 -178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.54 -10.82 85.63 Favored Glycine 0 CA--C 1.536 1.37 0 N-CA-C 116.015 1.166 . . . . 0.0 116.015 -176.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -64.72 -11.67 50.3 Favored Glycine 0 CA--C 1.539 1.55 0 C-N-CA 124.771 1.177 . . . . 0.0 115.884 -173.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 78.6 p -74.24 -17.31 60.9 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 118.553 1.177 . . . . 0.0 113.682 173.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.8 ttmt -85.26 130.51 34.59 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 124.442 1.097 . . . . 0.0 111.667 176.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.9 pp -144.16 1.4 1.1 Allowed 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 125.309 1.444 . . . . 0.0 114.718 168.613 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.97 -149.4 29.59 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 124.412 1.006 . . . . 0.0 114.114 175.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 82.68 -139.37 19.35 Favored Glycine 0 CA--C 1.535 1.323 0 O-C-N 121.843 -0.798 . . . . 0.0 113.076 -176.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.4 m -56.69 136.18 55.01 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.128 1.371 . . . . 0.0 114.282 -169.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -72.97 -154.97 2.8 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 126.176 1.846 . . . . 0.0 114.271 177.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -64.71 145.8 49.76 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 123.583 0.611 . . . . 0.0 113.137 175.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 72.3 p -78.77 -20.69 49.26 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 114.762 1.393 . . . . 0.0 114.762 -174.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 96.3 mtt-85 -136.2 155.39 50.2 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.974 1.71 . . . . 0.0 112.022 -178.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -80.19 163.81 23.76 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 125.272 1.429 . . . . 0.0 111.765 172.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -137.91 148.61 45.47 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 125.143 1.377 . . . . 0.0 112.217 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 46.7 tp -144.05 139.65 29.08 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.835 1.254 . . . . 0.0 111.084 178.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.5 m -71.88 -2.31 17.42 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 116.171 1.915 . . . . 0.0 116.171 -169.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.8 m -74.85 -16.79 16.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.101 0 N-CA-C 114.105 1.15 . . . . 0.0 114.105 -177.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -96.42 140.93 30.35 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.153 1.381 . . . . 0.0 111.538 177.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 155.41 167.63 17.29 Favored Glycine 0 CA--C 1.535 1.321 0 C-N-CA 124.712 1.149 . . . . 0.0 113.708 177.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 64.1 mtt -139.69 151.07 45.6 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 125.379 1.472 . . . . 0.0 111.741 176.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 49.1 mt 59.52 172.21 0.08 Allowed 'General case' 0 CA--C 1.549 0.938 0 C-N-CA 126.703 2.001 . . . . 0.0 114.757 -176.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -145.92 155.84 43.13 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.222 1.409 . . . . 0.0 112.238 179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -155.9 158.94 38.83 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 125.598 1.559 . . . . 0.0 110.688 175.456 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 7.5 t -64.22 -31.39 72.57 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 113.307 0.854 . . . . 0.0 113.307 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -139.32 -50.66 0.52 Allowed 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -177.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 57.6 m -64.12 -34.07 77.22 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 120.723 -1.236 . . . . 0.0 113.781 -168.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.0 mm-40 -71.85 -33.12 68.18 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 118.8 0.727 . . . . 0.0 112.372 175.31 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 54.7 mm-40 -70.13 -46.6 64.44 Favored 'General case' 0 N--CA 1.475 0.799 0 O-C-N 121.277 -0.889 . . . . 0.0 111.002 175.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.81 -47.41 91.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 123.409 0.684 . . . . 0.0 110.248 173.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 33.1 tp -58.99 -46.11 88.96 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 118.567 -0.73 . . . . 0.0 112.257 175.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -63.14 -44.14 96.37 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.981 1.264 . . . . 0.0 111.629 -179.793 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.5 tpt180 -69.41 -35.17 75.47 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 121.012 -1.055 . . . . 0.0 112.976 176.505 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 48.5 tp -66.32 -36.52 83.13 Favored 'General case' 0 CA--C 1.539 0.552 0 O-C-N 121.534 -0.729 . . . . 0.0 111.525 172.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.1 ttp85 -66.0 -41.93 90.4 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.649 1.18 . . . . 0.0 110.648 174.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 66.0 mt-10 -59.34 -52.61 64.89 Favored 'General case' 0 N--CA 1.476 0.847 0 CA-C-N 119.165 0.893 . . . . 0.0 111.097 172.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 64.8 mtp85 -62.55 -39.66 94.33 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.033 0.933 . . . . 0.0 112.959 -176.148 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 94.5 t -83.54 -47.92 17.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.376 0.671 . . . . 0.0 112.018 -179.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 81.5 p -69.43 -30.37 68.3 Favored 'General case' 0 N--CA 1.476 0.829 0 CA-C-N 119.508 1.049 . . . . 0.0 112.247 -177.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -82.13 4.7 75.06 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 125.254 1.407 . . . . 0.0 115.326 173.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 9.2 t -66.55 161.16 23.65 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 119.005 1.403 . . . . 0.0 112.671 179.155 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 19.1 p -62.17 132.15 51.84 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.754 1.221 . . . . 0.0 113.417 -172.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.4 -22.93 47.05 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 124.848 1.259 . . . . 0.0 112.888 171.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.4 mt-30 57.54 22.6 8.3 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.098 1.759 . . . . 0.0 115.634 174.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 11.4 t -146.36 152.59 39.34 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.692 1.197 . . . . 0.0 112.138 -177.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.343 0 C-N-CA 126.296 1.838 . . . . 0.0 111.727 -178.834 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.6 p . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 120.935 0.397 . . . . 0.0 111.593 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.1 p -73.01 146.42 10.8 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.153 0 C-N-CA 124.057 0.943 . . . . 0.0 112.108 179.684 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.3 t -144.79 159.65 42.53 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.199 1.399 . . . . 0.0 111.902 177.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -82.58 157.08 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 125.422 1.489 . . . . 0.0 113.145 -176.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 65.3 tp -69.37 132.54 46.54 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.818 0.847 . . . . 0.0 110.484 169.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 84.1 mtp180 -125.4 147.84 49.02 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.525 1.53 . . . . 0.0 111.227 176.289 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 30.3 m 59.11 171.81 0.07 Allowed 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 126.711 2.004 . . . . 0.0 114.806 -172.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.4 m -57.92 150.13 21.2 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.776 1.231 . . . . 0.0 112.409 177.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.3 p -122.09 -36.46 1.32 Allowed 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 N-CA-C 114.986 1.476 . . . . 0.0 114.986 -172.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 36.4 m120 -75.14 -21.11 59.05 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 120.012 1.278 . . . . 0.0 113.597 -173.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -68.51 -27.87 66.5 Favored 'General case' 0 N--CA 1.472 0.664 0 O-C-N 121.025 -1.047 . . . . 0.0 112.362 173.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 69.0 mtt180 -63.45 -33.3 75.25 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 124.186 0.994 . . . . 0.0 111.877 175.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -66.07 -39.84 90.41 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.396 0.679 . . . . 0.0 111.5 176.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.1 t -72.28 -39.14 63.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 123.294 0.638 . . . . 0.0 111.051 176.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -61.54 -44.5 96.93 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.2 0.6 . . . . 0.0 111.98 173.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -62.87 -41.36 99.35 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.972 0.909 . . . . 0.0 112.235 173.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.45 -40.96 96.71 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-N 118.962 0.801 . . . . 0.0 111.576 177.322 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 40.5 mt -60.22 -46.39 94.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 C-N-CA 123.804 0.842 . . . . 0.0 111.016 172.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.71 -34.88 78.82 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.458 -0.776 . . . . 0.0 112.843 178.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -65.67 -40.86 92.84 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.757 0.823 . . . . 0.0 111.996 173.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 44.2 mt -64.97 -45.47 94.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.878 0 CA-C-N 118.823 0.738 . . . . 0.0 111.021 172.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 34.8 tp -56.08 -44.48 79.0 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.486 1.114 . . . . 0.0 111.524 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.3 ttt180 -70.09 -46.29 65.19 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.078 0.951 . . . . 0.0 112.56 176.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 43.2 t80 -58.86 -41.52 87.22 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.31 1.044 . . . . 0.0 112.512 179.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 71.2 p -86.57 -1.83 57.98 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.141 1.163 . . . . 0.0 114.141 177.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 52.9 m-80 51.0 33.33 8.76 Favored 'General case' 0 CA--C 1.55 0.971 0 C-N-CA 125.394 1.477 . . . . 0.0 113.15 -178.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.2 p -101.82 174.62 5.87 Favored 'General case' 0 N--CA 1.47 0.551 0 C-N-CA 124.854 1.262 . . . . 0.0 113.921 -168.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 18.2 p -92.01 155.09 18.36 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.388 0.675 . . . . 0.0 110.018 168.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.426 ' HB3' HG22 ' A' ' 96' ' ' VAL . 38.5 mt-10 -64.45 -31.91 73.31 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.115 -0.99 . . . . 0.0 112.355 178.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 41.9 mt-30 -67.72 -40.02 84.28 Favored 'General case' 0 CA--C 1.539 0.551 0 O-C-N 122.042 -0.411 . . . . 0.0 111.8 174.081 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.3 mm-40 -67.29 -39.91 86.06 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 118.664 0.665 . . . . 0.0 111.935 175.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -65.97 -43.31 88.26 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 118.936 0.789 . . . . 0.0 112.139 174.672 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.76 -44.57 93.8 Favored 'General case' 0 N--CA 1.47 0.525 0 O-C-N 121.671 -0.643 . . . . 0.0 111.445 174.327 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -65.71 -40.67 92.47 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 112.959 0.726 . . . . 0.0 112.959 178.23 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -62.63 -41.87 99.27 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 123.208 0.603 . . . . 0.0 111.691 174.052 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 69.5 mmm -67.67 -38.02 83.18 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 123.892 0.877 . . . . 0.0 112.804 174.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -64.79 -42.12 95.3 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 118.859 0.754 . . . . 0.0 111.529 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 15.7 p -69.14 -24.48 64.09 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 47.4 p -102.62 -3.6 26.42 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.936 1.294 . . . . 0.0 113.869 -178.292 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.11 27.38 72.07 Favored Glycine 0 CA--C 1.537 1.418 0 O-C-N 121.579 -0.7 . . . . 0.0 113.645 -177.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.06 14.24 72.59 Favored Glycine 0 CA--C 1.529 0.935 0 N-CA-C 115.351 0.9 . . . . 0.0 115.351 179.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 mmt180 -77.72 93.23 4.25 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.573 1.686 . . . . 0.0 109.618 175.425 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 41.5 t -53.48 -42.04 47.68 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 123.935 0.894 . . . . 0.0 112.28 -170.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -61.96 -41.59 98.17 Favored 'General case' 0 N--CA 1.481 1.12 0 CA-C-N 119.485 1.039 . . . . 0.0 113.447 178.184 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 36.6 mt -74.17 -36.81 44.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 C-N-CA 123.351 0.66 . . . . 0.0 109.563 178.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.77 -48.34 74.88 Favored 'General case' 0 CA--C 1.533 0.305 0 C-N-CA 123.456 0.702 . . . . 0.0 111.525 177.709 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.7 pt -68.58 -35.57 70.79 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 119.121 0.873 . . . . 0.0 111.473 176.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.57 -46.18 87.43 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.893 0.769 . . . . 0.0 112.859 171.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -66.23 -42.58 88.45 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.959 0.904 . . . . 0.0 112.058 175.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 19.9 tp -63.61 -29.48 70.72 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.166 0.986 . . . . 0.0 112.152 179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 86.8 mt -81.37 -42.76 19.99 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 123.733 0.813 . . . . 0.0 112.904 169.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.7 p -70.66 -25.55 63.05 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.987 1.267 . . . . 0.0 114.261 -174.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 73.2 mmtt -72.06 -15.32 62.02 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 124.535 1.134 . . . . 0.0 113.775 169.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -102.02 173.81 6.22 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 125.008 1.323 . . . . 0.0 111.959 177.467 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 31.7 p -61.7 -16.82 52.31 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 121.0 -1.063 . . . . 0.0 113.752 175.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.3 m -67.96 -11.54 59.02 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.55 1.54 . . . . 0.0 114.393 171.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.95 159.21 43.84 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.513 1.054 . . . . 0.0 114.953 179.07 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.81 -170.94 36.25 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.748 1.166 . . . . 0.0 114.71 178.217 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.2 m -75.29 -8.28 56.21 Favored 'General case' 0 N--CA 1.475 0.806 0 N-CA-C 115.152 1.538 . . . . 0.0 115.152 -172.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.81 27.2 67.41 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 124.08 0.847 . . . . 0.0 114.681 176.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -75.7 -10.09 84.84 Favored Glycine 0 CA--C 1.539 1.544 0 C-N-CA 124.699 1.142 . . . . 0.0 115.827 -176.353 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 48.5 m 53.2 39.52 29.81 Favored 'General case' 0 N--CA 1.482 1.144 0 C-N-CA 125.921 1.689 . . . . 0.0 114.387 177.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.2 tmtt? -54.8 -32.22 59.99 Favored 'General case' 0 N--CA 1.484 1.246 0 C-N-CA 126.017 1.727 . . . . 0.0 114.203 -170.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 63.4 mt -111.46 8.75 21.25 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 125.521 1.528 . . . . 0.0 113.497 -175.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -84.16 -7.88 84.56 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 124.636 1.112 . . . . 0.0 115.158 178.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -78.24 -173.96 42.61 Favored Glycine 0 CA--C 1.538 1.49 0 C-N-CA 124.976 1.274 . . . . 0.0 114.809 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.9 m -55.96 135.17 52.52 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.635 1.174 . . . . 0.0 112.365 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.79 0.1 79.67 Favored Glycine 0 CA--C 1.537 1.459 0 C-N-CA 124.401 1.001 . . . . 0.0 115.272 -175.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.97 -32.41 80.8 Favored Glycine 0 CA--C 1.535 1.333 0 CA-C-N 118.89 1.345 . . . . 0.0 113.566 176.419 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 54.1 m -77.97 124.53 28.13 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 124.331 1.052 . . . . 0.0 110.436 169.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.3 mmm180 -102.79 3.59 36.97 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -170.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -140.68 158.66 43.65 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 126.154 1.781 . . . . 0.0 112.602 178.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -147.33 142.04 26.7 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.737 1.615 . . . . 0.0 110.538 174.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 57.6 mt 55.5 -169.06 0.08 Allowed 'General case' 0 CA--C 1.553 1.079 0 C-N-CA 125.708 1.603 . . . . 0.0 113.091 -169.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 39.8 m -64.6 144.35 57.27 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.52 1.128 . . . . 0.0 112.941 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.7 m -134.31 163.64 36.41 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.141 0 C-N-CA 125.877 1.671 . . . . 0.0 111.96 178.764 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -68.23 150.57 48.13 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.217 1.007 . . . . 0.0 112.282 178.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -73.72 166.65 54.64 Favored Glycine 0 CA--C 1.535 1.325 0 C-N-CA 124.519 1.057 . . . . 0.0 114.186 178.054 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 64.5 mtt -135.0 156.44 49.03 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 125.946 1.698 . . . . 0.0 111.349 177.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 52.8 tp -122.44 138.63 54.48 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 125.434 1.494 . . . . 0.0 111.338 -176.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 31.7 m-85 -137.41 153.54 50.14 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 125.297 1.439 . . . . 0.0 111.678 -177.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -72.92 -39.7 66.09 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.653 -0.655 . . . . 0.0 111.324 169.731 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.8 p -85.98 49.55 1.8 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.859 2.064 . . . . 0.0 111.752 172.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -52.2 130.18 29.82 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 125.452 1.501 . . . . 0.0 113.659 -173.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 22.4 p -55.94 -49.23 74.09 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.624 1.17 . . . . 0.0 113.218 -173.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -71.48 -38.52 71.2 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.222 0.609 . . . . 0.0 112.423 -179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -65.0 -46.13 82.66 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-N 119.127 0.876 . . . . 0.0 111.897 177.665 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.2 mp -68.76 -41.66 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.671 0 O-C-N 121.564 -0.71 . . . . 0.0 110.394 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 59.8 tp -57.88 -45.18 86.77 Favored 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 118.888 0.767 . . . . 0.0 111.892 173.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 29.5 t-20 -61.58 -47.14 86.85 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 118.637 0.653 . . . . 0.0 111.532 176.523 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.99 -36.03 82.64 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.602 0.637 . . . . 0.0 112.312 177.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.6 tp -68.65 -39.76 80.53 Favored 'General case' 0 N--CA 1.469 0.498 0 O-C-N 121.746 -0.596 . . . . 0.0 111.7 173.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 57.8 ttm-85 -63.58 -39.4 94.28 Favored 'General case' 0 N--CA 1.477 0.888 0 CA-C-N 119.244 0.929 . . . . 0.0 111.273 176.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.0 mt-10 -61.83 -52.69 63.14 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 118.26 0.482 . . . . 0.0 111.334 171.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 13.2 ttt180 -60.16 -40.54 90.28 Favored 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.706 0.802 . . . . 0.0 113.093 -176.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.426 HG22 ' HB3' ' A' ' 29' ' ' GLU . 27.0 t -95.2 -33.46 4.88 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 C-N-CA 123.569 0.748 . . . . 0.0 113.0 -172.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 19.9 m -126.14 -5.09 6.74 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 -170.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -76.17 170.63 54.78 Favored Glycine 0 CA--C 1.539 1.569 0 CA-C-N 119.621 1.1 . . . . 0.0 113.778 174.074 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 22.9 t -150.33 156.58 41.78 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.105 1.362 . . . . 0.0 112.002 177.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 67.6 p -114.43 -2.42 13.23 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.764 1.626 . . . . 0.0 113.609 -177.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -86.62 164.23 16.95 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.443 1.497 . . . . 0.0 113.318 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -122.86 154.03 38.84 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 126.027 1.731 . . . . 0.0 111.429 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 77.6 p -145.49 160.15 42.04 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.311 1.445 . . . . 0.0 112.432 -179.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.305 0 C-N-CA 125.015 1.326 . . . . 0.0 112.821 179.138 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.3 p . . . . . 0 N--CA 1.489 1.489 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.2 m -132.68 157.6 43.07 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.166 0 C-N-CA 126.046 1.738 . . . . 0.0 112.07 179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.0 m -70.88 135.67 48.17 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.36 1.064 . . . . 0.0 112.1 179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -127.67 5.27 3.31 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 125.642 1.577 . . . . 0.0 114.455 -173.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.5 mt -87.09 55.59 3.63 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.983 1.313 . . . . 0.0 110.795 176.115 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -90.59 158.91 16.72 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.849 1.659 . . . . 0.0 112.921 -169.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 65.9 p 47.54 -149.18 0.15 Allowed 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 127.07 2.148 . . . . 0.0 114.877 173.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.1 t -151.2 -178.36 6.59 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 126.086 1.754 . . . . 0.0 111.65 -175.348 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 61.9 t -57.73 133.24 22.54 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.975 0 C-N-CA 125.093 1.357 . . . . 0.0 110.708 177.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -72.49 126.9 30.98 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.875 0.87 . . . . 0.0 112.019 -174.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -70.09 -15.88 63.05 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.804 1.242 . . . . 0.0 114.065 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 40.0 ttm180 -58.52 -34.5 71.03 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.233 0.924 . . . . 0.0 113.253 -179.3 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -68.67 -36.87 79.11 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 118.257 0.48 . . . . 0.0 111.948 175.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 18.9 t -69.41 -41.36 80.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.783 0.833 . . . . 0.0 110.638 175.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.1 t70 -65.23 -40.43 94.06 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.574 0.75 . . . . 0.0 112.775 175.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -63.26 -41.48 99.04 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 123.914 0.885 . . . . 0.0 111.588 172.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.01 -40.38 94.83 Favored 'General case' 0 CA--C 1.547 0.856 0 CA-C-N 118.793 0.724 . . . . 0.0 111.903 176.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.1 mt -58.73 -48.63 85.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.623 0 C-N-CA 123.648 0.779 . . . . 0.0 111.137 171.352 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -67.03 -38.29 85.65 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 118.513 0.597 . . . . 0.0 111.768 -179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -59.46 -43.54 93.17 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.104 -0.998 . . . . 0.0 111.76 173.366 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 62.4 mt -63.53 -44.99 98.92 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 CA-C-N 118.853 0.751 . . . . 0.0 111.005 173.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.7 tp -56.86 -47.53 80.2 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.521 1.129 . . . . 0.0 111.952 179.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.9 mmt180 -74.88 -37.46 62.15 Favored 'General case' 0 N--CA 1.48 1.03 0 CA-C-O 118.887 -0.577 . . . . 0.0 112.336 178.486 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 83.7 t80 -64.58 -41.34 96.33 Favored 'General case' 0 N--CA 1.476 0.835 0 CA-C-N 118.965 0.802 . . . . 0.0 112.611 178.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 64.5 p -83.44 -5.92 59.3 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 175.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.3 t30 51.35 45.57 27.76 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.663 1.585 . . . . 0.0 112.573 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 80.2 p -112.83 172.86 6.68 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.002 1.321 . . . . 0.0 113.724 -169.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 30.4 p -91.95 153.68 19.32 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.579 0.752 . . . . 0.0 110.38 169.124 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -65.71 -36.4 83.5 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.233 -0.917 . . . . 0.0 111.321 -177.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.9 pt20 -66.82 -36.26 81.96 Favored 'General case' 0 CA--C 1.538 0.503 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 173.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 26.6 tp60 -71.7 -33.75 69.04 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.435 1.016 . . . . 0.0 112.381 176.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -67.15 -43.92 81.1 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.752 0.706 . . . . 0.0 111.436 170.863 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.36 -43.37 96.6 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.227 -0.921 . . . . 0.0 111.375 174.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -62.58 -40.42 96.85 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.145 0.578 . . . . 0.0 112.304 174.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.86 -36.78 85.04 Favored 'General case' 0 CA--C 1.542 0.655 0 O-C-N 121.6 -0.687 . . . . 0.0 112.146 175.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.6 mmm -67.84 -42.42 81.46 Favored 'General case' 0 N--CA 1.474 0.746 0 O-C-N 121.383 -0.823 . . . . 0.0 112.326 172.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -65.07 -36.93 85.89 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.658 1.117 . . . . 0.0 112.384 174.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 25.8 t -66.2 -26.91 67.61 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.312 1.045 . . . . 0.0 113.148 177.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.5 p -111.71 3.31 17.72 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 114.558 1.318 . . . . 0.0 114.558 -173.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.08 23.99 72.84 Favored Glycine 0 CA--C 1.533 1.19 0 O-C-N 121.668 -0.645 . . . . 0.0 113.693 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.76 8.05 83.3 Favored Glycine 0 CA--C 1.53 0.994 0 CA-C-O 118.328 -1.262 . . . . 0.0 116.007 175.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 40.9 mtt85 -78.12 110.66 13.29 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 120.011 1.906 . . . . 0.0 110.495 173.283 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.6 t -59.29 -38.69 76.04 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.073 0 CA-C-O 118.591 -0.719 . . . . 0.0 111.677 -176.08 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.1 ptp180 -60.49 -44.07 96.34 Favored 'General case' 0 N--CA 1.482 1.136 0 CA-C-N 119.752 1.16 . . . . 0.0 113.478 178.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 21.1 mm -76.37 -34.93 26.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 C-N-CA 122.602 0.361 . . . . 0.0 110.133 179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -62.12 -49.97 73.76 Favored 'General case' 0 CA--C 1.535 0.368 0 O-C-N 121.53 -0.731 . . . . 0.0 111.241 174.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.5 pt -67.7 -33.32 61.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 CA-C-N 119.365 0.984 . . . . 0.0 111.721 177.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.61 -47.74 83.32 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 119.173 0.897 . . . . 0.0 112.597 171.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.8 mtpt -69.28 -38.67 78.45 Favored 'General case' 0 N--CA 1.481 1.077 0 O-C-N 120.932 -1.105 . . . . 0.0 112.669 175.24 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 21.0 tp -63.19 -34.17 77.06 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.389 1.076 . . . . 0.0 112.247 179.178 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.6 mt -77.31 -43.39 33.29 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.229 1.012 . . . . 0.0 113.004 171.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 51.7 m -75.88 -31.17 59.12 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -173.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 98.2 mttt 57.51 -60.08 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 129.489 3.116 . . . . 0.0 116.261 -176.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -84.65 158.17 20.92 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.551 1.14 . . . . 0.0 111.969 -177.089 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.2 p -84.55 -17.22 39.57 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.513 1.125 . . . . 0.0 113.808 177.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.6 m -70.37 155.16 41.06 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.004 1.322 . . . . 0.0 113.375 179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 72.75 -154.05 49.55 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 124.219 0.914 . . . . 0.0 114.349 176.721 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.41 176.14 48.42 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 124.88 1.229 . . . . 0.0 114.255 -174.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 48.9 m -71.23 145.14 49.81 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.23 1.012 . . . . 0.0 112.81 -176.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 171.33 179.73 42.61 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.481 1.038 . . . . 0.0 113.699 178.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 74.9 -43.12 1.39 Allowed Glycine 0 CA--C 1.539 1.547 0 C-N-CA 126.097 1.808 . . . . 0.0 115.912 174.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 62.7 m -111.82 147.87 34.8 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 125.774 1.63 . . . . 0.0 112.529 -176.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 21.7 tptp 46.18 60.16 3.38 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 126.472 1.909 . . . . 0.0 112.863 -179.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 65.8 mt -93.54 126.76 38.87 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 124.338 1.055 . . . . 0.0 110.168 176.369 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.22 -152.28 51.28 Favored Glycine 0 CA--C 1.538 1.495 0 C-N-CA 123.918 0.771 . . . . 0.0 113.301 -174.063 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 76.67 9.96 86.08 Favored Glycine 0 CA--C 1.54 1.594 0 N-CA-C 116.059 1.183 . . . . 0.0 116.059 172.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.8 m -139.61 151.52 46.07 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 125.362 1.465 . . . . 0.0 111.881 -179.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.56 175.55 43.59 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.729 1.157 . . . . 0.0 114.482 -178.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -84.34 -9.69 81.38 Favored Glycine 0 CA--C 1.537 1.463 0 N-CA-C 115.673 1.029 . . . . 0.0 115.673 -176.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.2 m 54.45 31.92 15.66 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.912 1.685 . . . . 0.0 114.728 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 38.1 mtp-105 -78.25 157.89 29.11 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.816 1.246 . . . . 0.0 112.158 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 63.8 mttp -93.4 11.15 29.36 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.709 1.604 . . . . 0.0 113.232 170.648 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -146.2 142.32 28.3 Favored 'General case' 0 CA--C 1.544 0.722 0 C-N-CA 127.127 2.171 . . . . 0.0 110.588 -175.18 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -152.78 163.21 40.15 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.298 1.439 . . . . 0.0 112.406 179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 86.9 p -140.81 162.16 36.09 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.622 1.569 . . . . 0.0 112.264 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.3 m -135.66 157.72 39.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 125.36 1.464 . . . . 0.0 112.431 -179.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -80.87 -15.97 54.91 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.717 1.207 . . . . 0.0 114.15 -177.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -166.39 171.01 41.26 Favored Glycine 0 CA--C 1.534 1.272 0 C-N-CA 126.07 1.795 . . . . 0.0 112.117 178.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 58.6 mtt 53.3 39.59 30.02 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.124 1.369 . . . . 0.0 113.249 -174.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 51.5 tp -68.82 -26.41 65.16 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 124.67 1.188 . . . . 0.0 113.469 -175.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 58.4 m-85 -130.11 155.38 46.29 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.349 1.46 . . . . 0.0 112.489 -177.118 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.7 t0 47.99 57.84 5.67 Favored 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 126.062 1.745 . . . . 0.0 114.019 -178.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 18.6 m -57.41 149.83 19.83 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.078 1.351 . . . . 0.0 113.332 -177.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -59.3 -30.2 68.16 Favored 'General case' 0 CA--C 1.54 0.579 0 N-CA-C 113.422 0.897 . . . . 0.0 113.422 -176.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.2 m -60.44 -43.17 97.1 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.298 -0.876 . . . . 0.0 113.008 176.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -71.96 -32.41 67.25 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.511 1.05 . . . . 0.0 112.871 175.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 92.2 mt-30 -62.94 -48.01 80.74 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 118.937 0.789 . . . . 0.0 111.428 172.39 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.0 mm -61.98 -43.03 97.02 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.632 0 C-N-CA 124.05 0.94 . . . . 0.0 110.567 175.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 66.6 tp -59.79 -47.76 84.39 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.434 1.015 . . . . 0.0 112.173 174.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -57.29 -53.85 53.46 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-N 119.06 0.846 . . . . 0.0 111.561 177.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 27.3 tpt180 -67.0 -36.37 82.01 Favored 'General case' 0 N--CA 1.475 0.798 0 CA-C-O 118.075 -0.964 . . . . 0.0 112.123 -179.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 34.4 tp -68.95 -41.14 78.4 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 120.383 1.447 . . . . 0.0 111.378 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 50.7 ttt85 -69.4 -37.27 77.42 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.598 0.635 . . . . 0.0 111.389 -179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 95.3 mt-10 -66.54 -48.93 68.14 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.302 0.501 . . . . 0.0 111.78 170.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 53.9 ttt180 -61.04 -37.36 82.35 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.5 1.12 . . . . 0.0 113.466 -179.506 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.1 t -93.66 -38.15 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.982 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -176.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 15.9 m -123.52 -1.84 8.51 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -168.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 79.19 168.97 36.44 Favored Glycine 0 CA--C 1.535 1.309 0 CA-C-N 119.441 1.018 . . . . 0.0 114.134 -176.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 60.0 p -66.97 -32.1 73.11 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 121.318 -1.107 . . . . 0.0 113.578 -176.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 37.4 p -66.91 -18.83 65.57 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.314 1.446 . . . . 0.0 113.871 -179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -70.26 -5.82 30.42 Favored 'General case' 0 CA--C 1.548 0.903 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 173.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -101.76 -6.68 23.36 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 125.328 1.451 . . . . 0.0 113.184 177.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.8 m -72.71 150.27 43.04 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.734 1.214 . . . . 0.0 113.061 -179.198 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.266 0 C-N-CA 126.14 1.776 . . . . 0.0 112.158 178.179 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 27.5 m . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.4 p -144.93 151.18 15.51 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 125.315 1.446 . . . . 0.0 111.08 178.454 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -68.56 154.96 40.89 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.791 0.836 . . . . 0.0 112.296 175.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -68.5 144.74 13.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 C-N-CA 124.34 1.056 . . . . 0.0 112.54 -178.4 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 82.3 mt -103.97 -4.58 23.19 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -173.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 58.0 mmm-85 -133.24 156.35 47.7 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 126.251 1.82 . . . . 0.0 111.811 -178.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 58.6 m -136.3 149.11 48.28 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 126.052 1.741 . . . . 0.0 110.49 173.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 29.2 m 50.58 38.37 18.61 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.786 1.234 . . . . 0.0 112.632 -173.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 3.2 p -70.45 -29.62 39.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 N-CA-C 114.63 1.344 . . . . 0.0 114.63 -167.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.0 p30 -149.5 174.2 12.76 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.838 1.255 . . . . 0.0 111.857 178.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 55.8 p-80 -63.46 -33.42 75.52 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 113.189 0.811 . . . . 0.0 113.189 -179.331 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 42.4 ttm180 -66.78 -41.42 87.7 Favored 'General case' 0 N--CA 1.478 0.954 0 CA-C-N 119.372 0.987 . . . . 0.0 112.011 178.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -68.41 -39.69 81.54 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.303 0.641 . . . . 0.0 111.727 177.025 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.1 t -72.69 -33.35 44.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.879 0 O-C-N 121.448 -0.783 . . . . 0.0 111.987 175.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -64.7 -41.74 95.81 Favored 'General case' 0 N--CA 1.47 0.564 0 O-C-N 120.809 -1.182 . . . . 0.0 112.092 171.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -61.46 -42.82 99.36 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 122.951 0.5 . . . . 0.0 111.991 170.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.47 -42.34 98.6 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 121.57 -0.706 . . . . 0.0 112.009 176.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.2 mt -61.66 -45.79 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 C-N-CA 124.21 1.004 . . . . 0.0 111.166 174.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -63.95 -39.63 94.58 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 119.21 0.914 . . . . 0.0 112.781 176.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -62.79 -43.76 97.95 Favored 'General case' 0 CA--C 1.542 0.65 0 O-C-N 121.421 -0.8 . . . . 0.0 111.281 174.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.6 mt -63.37 -45.9 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 C-N-CA 123.437 0.695 . . . . 0.0 111.575 174.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 35.7 tp -56.9 -45.1 82.86 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.872 1.269 . . . . 0.0 111.417 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 47.6 mtm105 -72.86 -41.34 64.87 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 113.218 0.821 . . . . 0.0 113.218 175.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.8 t80 -61.68 -40.73 96.01 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.014 0.925 . . . . 0.0 112.872 177.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.0 p -80.92 -8.92 59.86 Favored 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.607 0.966 . . . . 0.0 113.607 174.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 52.64 33.83 14.56 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.635 1.574 . . . . 0.0 113.239 -173.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 92.8 p -100.17 173.31 6.69 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.51 1.124 . . . . 0.0 113.165 -173.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 73.9 p -98.78 158.09 15.86 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.944 0.898 . . . . 0.0 110.259 168.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.3 mp0 -61.4 -33.73 74.18 Favored 'General case' 0 N--CA 1.47 0.544 0 O-C-N 121.075 -1.015 . . . . 0.0 112.267 -178.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 84.7 mt-30 -68.07 -39.2 83.0 Favored 'General case' 0 N--CA 1.471 0.605 0 C-N-CA 123.36 0.664 . . . . 0.0 112.083 173.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.8 mt-30 -69.09 -36.84 78.04 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.653 -0.654 . . . . 0.0 112.018 174.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -68.26 -39.56 82.18 Favored 'General case' 0 CA--C 1.542 0.654 0 O-C-N 121.233 -0.917 . . . . 0.0 111.757 174.692 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -58.74 -48.68 80.36 Favored 'General case' 0 N--CA 1.472 0.663 0 O-C-N 121.426 -0.796 . . . . 0.0 111.742 170.018 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -61.19 -41.44 96.82 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 177.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.0 -39.93 90.71 Favored 'General case' 0 CA--C 1.541 0.629 0 C-N-CA 123.341 0.657 . . . . 0.0 112.295 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 79.1 mmm -67.06 -43.86 81.6 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.254 -0.904 . . . . 0.0 111.941 174.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -66.9 -37.58 84.64 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.371 0.987 . . . . 0.0 112.286 176.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.1 t -71.11 -27.45 63.6 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.29 1.036 . . . . 0.0 113.449 177.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.8 p -98.52 -2.41 38.85 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 113.85 1.056 . . . . 0.0 113.85 178.382 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.75 25.02 75.03 Favored Glycine 0 CA--C 1.536 1.351 0 O-C-N 121.341 -0.849 . . . . 0.0 113.815 -177.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 86.69 7.05 79.23 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 116.081 1.192 . . . . 0.0 116.081 178.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 mmt85 -74.14 89.5 1.99 Allowed 'General case' 0 N--CA 1.477 0.897 0 CA-C-N 118.711 1.255 . . . . 0.0 109.791 173.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 8.5 p -56.62 -35.3 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.161 0 C-N-CA 123.794 0.838 . . . . 0.0 113.023 -172.227 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -60.78 -40.55 93.01 Favored 'General case' 0 N--CA 1.482 1.166 0 CA-C-N 119.121 0.873 . . . . 0.0 113.337 173.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.6 mt -73.9 -36.09 44.46 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 122.944 0.497 . . . . 0.0 109.915 176.383 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.06 -47.14 81.29 Favored 'General case' 0 CA--C 1.54 0.592 0 O-C-N 121.2 -0.937 . . . . 0.0 111.738 177.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 18.0 pt -68.06 -37.76 78.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.792 0 O-C-N 121.396 -0.815 . . . . 0.0 111.343 175.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.2 -42.84 91.86 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 118.917 0.78 . . . . 0.0 112.622 171.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 15.0 tppt? -67.63 -39.33 84.65 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.469 1.108 . . . . 0.0 112.131 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 79.3 mt -67.94 -38.58 83.0 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.511 0.725 . . . . 0.0 112.383 174.619 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 80.3 mt -72.05 -30.17 64.89 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 175.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 24.9 m -88.99 19.62 4.05 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.517 1.527 . . . . 0.0 113.798 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 71.3 tttt -76.65 70.69 3.18 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.248 1.419 . . . . 0.0 111.669 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -142.89 174.19 10.88 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 126.368 1.867 . . . . 0.0 112.085 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.1 t -128.59 151.37 49.54 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.139 1.375 . . . . 0.0 112.431 177.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.4 p -85.75 -6.33 59.13 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 125.307 1.443 . . . . 0.0 113.271 170.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.93 38.59 0.65 Allowed Glycine 0 CA--C 1.541 1.666 0 C-N-CA 126.381 1.943 . . . . 0.0 115.88 -177.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.57 -8.49 67.19 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 125.021 1.296 . . . . 0.0 115.328 -177.202 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.3 m -111.65 33.36 4.8 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 125.981 1.713 . . . . 0.0 112.736 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 66.56 -107.39 1.97 Allowed Glycine 0 CA--C 1.533 1.19 0 C-N-CA 124.784 1.183 . . . . 0.0 112.812 175.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -71.14 -6.0 59.93 Favored Glycine 0 CA--C 1.54 1.621 0 C-N-CA 124.389 0.995 . . . . 0.0 114.881 173.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.7 t -125.87 168.08 14.35 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.003 1.721 . . . . 0.0 112.0 175.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.1 pptp? -129.78 155.44 45.94 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 125.684 1.594 . . . . 0.0 113.01 -175.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 87.8 mt -80.66 136.83 36.27 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 125.436 1.495 . . . . 0.0 111.816 -178.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.33 -175.91 45.4 Favored Glycine 0 CA--C 1.539 1.554 0 C-N-CA 124.592 1.092 . . . . 0.0 115.623 177.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -68.95 153.88 53.11 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.861 1.219 . . . . 0.0 114.08 -179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.7 m -80.25 144.27 33.02 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.537 1.135 . . . . 0.0 112.74 -178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -78.21 172.28 55.2 Favored Glycine 0 CA--C 1.537 1.434 0 C-N-CA 124.707 1.146 . . . . 0.0 114.584 179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -178.63 163.86 31.98 Favored Glycine 0 CA--C 1.535 1.34 0 C-N-CA 125.066 1.317 . . . . 0.0 113.059 177.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.7 t -152.08 160.38 43.45 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 125.002 1.321 . . . . 0.0 112.12 178.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 63.0 ttm-85 -70.97 -27.23 63.57 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 125.124 1.37 . . . . 0.0 113.195 178.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 21.9 tptm -140.87 147.14 38.46 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 126.009 1.724 . . . . 0.0 110.993 179.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 33.5 t70 -72.47 -26.27 61.75 Favored 'General case' 0 N--CA 1.475 0.793 0 N-CA-C 113.808 1.04 . . . . 0.0 113.808 -174.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 96.8 mt -134.82 156.99 47.94 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 126.181 1.793 . . . . 0.0 111.717 179.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 9.1 t -147.94 161.81 40.58 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.233 1.413 . . . . 0.0 111.689 174.676 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 29.9 m -80.9 159.35 4.14 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 124.864 1.266 . . . . 0.0 113.337 -176.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.9 mtmt -83.61 162.21 20.88 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.816 1.246 . . . . 0.0 111.53 173.703 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -64.55 152.84 49.77 Favored Glycine 0 CA--C 1.537 1.461 0 C-N-CA 123.838 0.732 . . . . 0.0 114.241 -177.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 99.1 mmm -81.3 -17.27 49.89 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -176.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.5 tp 51.45 50.93 17.85 Favored 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 126.437 1.895 . . . . 0.0 114.347 174.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 77.9 t80 -68.74 -27.94 66.37 Favored 'General case' 0 CA--C 1.549 0.912 0 N-CA-C 113.165 0.802 . . . . 0.0 113.165 178.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -61.33 134.73 57.27 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.06 1.344 . . . . 0.0 112.957 177.336 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 32.7 m -73.96 -37.57 64.46 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 113.82 1.045 . . . . 0.0 113.82 -174.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -67.38 -50.9 57.78 Favored 'General case' 0 N--CA 1.469 0.508 0 O-C-N 121.262 -0.899 . . . . 0.0 111.642 -177.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 44.5 p -61.59 -31.5 71.57 Favored 'General case' 0 N--CA 1.471 0.592 0 O-C-N 121.501 -0.749 . . . . 0.0 112.997 177.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 39.9 mt-30 -63.97 -43.34 96.05 Favored 'General case' 0 N--CA 1.473 0.704 0 CA-C-N 119.216 0.916 . . . . 0.0 111.809 168.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 48.7 mm-40 -66.08 -39.23 89.86 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 118.469 -0.777 . . . . 0.0 112.585 174.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 19.7 mm -60.87 -49.56 84.12 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.963 0 CA-C-N 119.477 1.035 . . . . 0.0 110.11 172.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 53.6 tp -60.47 -44.14 96.21 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 118.91 0.777 . . . . 0.0 111.524 179.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -62.84 -47.0 85.29 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 118.8 0.727 . . . . 0.0 111.466 178.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -41.88 99.6 Favored 'General case' 0 N--CA 1.479 0.988 0 O-C-N 121.286 -0.884 . . . . 0.0 111.779 177.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -68.06 -49.48 61.08 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 124.344 1.058 . . . . 0.0 111.744 -178.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.6 ttt85 -61.6 -42.4 98.81 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.631 0.773 . . . . 0.0 111.426 177.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 24.6 mm-40 -69.67 -39.8 76.79 Favored 'General case' 0 CA--C 1.54 0.567 0 O-C-N 121.716 -0.615 . . . . 0.0 112.236 176.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 48.9 ttt-85 -58.36 -44.53 88.84 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.834 0.854 . . . . 0.0 112.629 174.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 47.3 t -87.74 -38.65 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -174.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 29.0 m -118.08 -11.82 10.13 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 -171.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -99.68 -166.15 29.48 Favored Glycine 0 CA--C 1.539 1.532 0 C-N-CA 125.05 1.31 . . . . 0.0 112.762 171.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 34.6 m -83.79 -25.44 30.43 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 -177.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.5 t -161.1 159.01 28.6 Favored 'General case' 0 N--CA 1.48 1.041 0 C-N-CA 124.535 1.134 . . . . 0.0 112.836 -174.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -78.13 -6.79 55.81 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.696 1.198 . . . . 0.0 113.542 169.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 37.9 mt-30 -74.98 37.1 0.12 Allowed 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 125.676 1.59 . . . . 0.0 114.128 -176.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 73.3 p -84.84 -1.24 56.22 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.199 1.4 . . . . 0.0 114.273 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.269 0 C-N-CA 125.533 1.533 . . . . 0.0 112.949 177.42 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.7 m . . . . . 0 N--CA 1.491 1.603 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.8 m -131.0 157.75 43.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.278 0 C-N-CA 125.527 1.531 . . . . 0.0 111.868 177.609 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -146.75 165.76 28.66 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.985 1.314 . . . . 0.0 111.998 178.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -132.61 151.46 34.61 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.8 0 C-N-CA 126.449 1.9 . . . . 0.0 111.656 -177.011 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 49.6 tp -73.5 -38.02 65.49 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.412 0.685 . . . . 0.0 112.584 -178.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 94.5 mtm-85 -140.07 147.58 40.51 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 126.164 1.786 . . . . 0.0 111.35 177.087 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 67.7 p -81.73 162.49 22.94 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.932 1.293 . . . . 0.0 112.597 174.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.6 p -147.98 159.31 44.03 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.845 1.258 . . . . 0.0 112.776 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 57.9 t -80.87 141.26 15.45 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 124.589 1.156 . . . . 0.0 110.176 175.25 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -137.83 150.86 47.52 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.886 1.274 . . . . 0.0 111.831 -177.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 52.6 p-80 -60.54 -20.29 59.86 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 114.523 1.305 . . . . 0.0 114.523 -178.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 -54.47 -30.65 53.7 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 118.794 0.725 . . . . 0.0 112.736 172.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 54.4 mm-40 -71.29 -44.78 64.54 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 118.985 0.812 . . . . 0.0 111.198 -174.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.6 p -74.45 -35.53 39.21 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 122.927 0.491 . . . . 0.0 111.803 175.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -60.89 -46.56 90.15 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 119.086 0.857 . . . . 0.0 112.099 171.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -64.36 -40.39 95.76 Favored 'General case' 0 CA--C 1.533 0.316 0 C-N-CA 124.086 0.954 . . . . 0.0 112.38 175.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.54 -42.86 95.44 Favored 'General case' 0 CA--C 1.544 0.716 0 CA-C-N 119.073 0.851 . . . . 0.0 111.85 177.036 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.1 mt -62.2 -47.77 91.55 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.693 0 C-N-CA 123.701 0.8 . . . . 0.0 110.764 174.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -62.76 -39.94 95.73 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.089 0.858 . . . . 0.0 112.823 177.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.7 t30 -64.27 -44.75 90.77 Favored 'General case' 0 CA--C 1.539 0.557 0 O-C-N 121.3 -0.875 . . . . 0.0 111.92 175.27 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 50.8 mt -63.3 -44.68 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 CA-C-N 118.72 0.691 . . . . 0.0 110.806 174.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 42.2 tp -56.19 -45.55 79.74 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.445 1.098 . . . . 0.0 111.85 179.416 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.2 mtt-85 -73.12 -43.97 60.89 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.455 0.702 . . . . 0.0 112.641 177.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -61.91 -39.33 91.62 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.921 0.888 . . . . 0.0 112.732 179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 82.6 p -80.85 -5.88 57.88 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 114.04 1.126 . . . . 0.0 114.04 175.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.4 t30 50.83 38.94 21.13 Favored 'General case' 0 CA--C 1.551 0.987 0 C-N-CA 125.376 1.471 . . . . 0.0 113.124 -178.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.9 m -118.74 171.61 8.08 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.847 1.259 . . . . 0.0 112.771 -170.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 29.3 p -87.88 161.89 17.24 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.471 0.709 . . . . 0.0 110.935 170.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 63.3 mt-10 -65.61 -31.15 72.02 Favored 'General case' 0 N--CA 1.475 0.821 0 O-C-N 121.117 -0.99 . . . . 0.0 111.622 175.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -67.92 -43.0 80.2 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 121.639 -0.663 . . . . 0.0 112.089 172.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 45.5 mm-40 -64.13 -38.92 92.79 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 118.781 0.719 . . . . 0.0 111.626 174.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -64.29 -44.57 91.23 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 118.309 0.504 . . . . 0.0 111.733 174.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.82 -44.42 96.94 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.951 0.796 . . . . 0.0 111.657 174.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -64.04 -39.86 95.03 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 177.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.48 -41.82 88.39 Favored 'General case' 0 CA--C 1.536 0.436 0 O-C-N 121.744 -0.598 . . . . 0.0 112.128 175.017 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.0 mmm -62.11 -43.07 99.63 Favored 'General case' 0 N--CA 1.474 0.747 0 O-C-N 121.614 -0.679 . . . . 0.0 111.543 173.228 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -64.82 -42.43 94.98 Favored 'General case' 0 CA--C 1.546 0.795 0 O-C-N 121.332 -0.855 . . . . 0.0 111.987 175.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 29.1 t -67.45 -32.4 73.24 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.238 1.015 . . . . 0.0 113.221 179.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 68.6 p -97.9 3.08 49.77 Favored 'General case' 0 N--CA 1.485 1.287 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 -177.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.34 21.35 64.91 Favored Glycine 0 CA--C 1.533 1.21 0 O-C-N 121.353 -0.842 . . . . 0.0 114.289 174.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 89.41 -2.95 83.65 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 116.115 1.206 . . . . 0.0 116.115 174.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -75.92 108.53 8.86 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 119.492 1.646 . . . . 0.0 110.425 177.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.0 p -61.14 -36.14 70.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.976 0 N-CA-C 112.692 0.627 . . . . 0.0 112.692 -171.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -62.1 -40.3 95.41 Favored 'General case' 0 N--CA 1.481 1.086 0 O-C-N 121.24 -0.913 . . . . 0.0 113.305 175.414 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.0 mt -74.96 -35.37 35.37 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.866 0 C-N-CA 123.648 0.779 . . . . 0.0 109.865 179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.97 77.88 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 121.496 -0.753 . . . . 0.0 112.05 175.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 20.3 pt -67.74 -35.24 71.92 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 O-C-N 121.208 -0.933 . . . . 0.0 111.348 176.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.33 -42.94 92.62 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 119.34 0.973 . . . . 0.0 112.854 169.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -66.36 -35.5 80.5 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.785 0.834 . . . . 0.0 112.744 176.02 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 86.2 mt -72.57 -36.52 68.21 Favored 'General case' 0 CA--C 1.545 0.783 0 N-CA-C 113.056 0.761 . . . . 0.0 113.056 175.284 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 68.5 mt -85.36 -45.57 11.77 Favored 'General case' 0 N--CA 1.473 0.724 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -175.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 32.6 m -120.35 4.24 10.76 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 125.21 1.404 . . . . 0.0 114.722 -169.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 48.7 tttt 51.26 27.46 3.57 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 126.216 1.806 . . . . 0.0 115.22 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -141.07 160.11 40.79 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.786 2.034 . . . . 0.0 110.533 178.297 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 35.4 p -78.63 -26.36 45.21 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.755 0.822 . . . . 0.0 112.833 176.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.9 m -70.72 156.9 38.91 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 125.529 1.532 . . . . 0.0 112.807 176.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -156.56 176.64 33.85 Favored Glycine 0 CA--C 1.537 1.442 0 C-N-CA 124.646 1.117 . . . . 0.0 113.74 177.291 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -71.59 166.39 53.03 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.284 0.945 . . . . 0.0 114.683 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 47.7 t -146.55 149.5 33.72 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 125.308 1.443 . . . . 0.0 111.906 178.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.35 -9.02 87.07 Favored Glycine 0 CA--C 1.539 1.58 0 C-N-CA 124.233 0.921 . . . . 0.0 114.599 172.103 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 73.03 20.97 80.18 Favored Glycine 0 CA--C 1.539 1.534 0 CA-C-N 118.442 1.121 . . . . 0.0 114.581 -179.692 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 24.1 m -67.5 146.97 53.42 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 125.222 1.409 . . . . 0.0 113.403 -175.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.87 168.3 23.38 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 125.771 1.628 . . . . 0.0 112.027 172.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 97.3 mt -120.71 155.21 34.38 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.218 1.407 . . . . 0.0 111.793 175.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.51 178.58 51.69 Favored Glycine 0 CA--C 1.538 1.53 0 C-N-CA 124.683 1.135 . . . . 0.0 114.579 178.143 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 81.33 170.95 44.52 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 125.095 1.331 . . . . 0.0 114.584 -179.36 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.2 m -87.09 -9.52 55.16 Favored 'General case' 0 N--CA 1.478 0.948 0 N-CA-C 114.555 1.317 . . . . 0.0 114.555 -172.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.88 -153.87 53.1 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.025 0.822 . . . . 0.0 113.137 -173.355 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 70.58 33.56 67.38 Favored Glycine 0 CA--C 1.536 1.403 0 O-C-N 122.034 -0.686 . . . . 0.0 114.632 175.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.0 t -56.09 137.87 50.58 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 124.512 1.125 . . . . 0.0 113.376 -176.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 28.4 mmm180 -88.81 -13.8 38.5 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.845 1.258 . . . . 0.0 112.862 172.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 39.3 ttpt -84.71 -33.7 23.07 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.967 1.307 . . . . 0.0 112.173 177.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 39.1 t70 -68.26 134.8 50.95 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.835 0.854 . . . . 0.0 111.972 174.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 61.8 tp -151.78 140.38 20.72 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.757 1.223 . . . . 0.0 111.643 -177.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 84.2 p -145.22 157.23 44.12 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 125.556 1.542 . . . . 0.0 111.391 170.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 35.7 m -138.23 165.74 24.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 125.312 1.445 . . . . 0.0 112.003 -177.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -65.87 142.54 57.88 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 123.356 0.662 . . . . 0.0 111.841 173.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 68.96 15.63 69.57 Favored Glycine 0 CA--C 1.542 1.74 0 N-CA-C 115.421 0.928 . . . . 0.0 115.421 -179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.2 ttt -70.0 138.23 52.04 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.629 1.214 . . . . 0.0 112.119 -178.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 53.9 tp -74.02 140.4 45.4 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.225 1.01 . . . . 0.0 111.961 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.0 p90 -146.9 167.24 24.43 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.44 1.496 . . . . 0.0 111.773 176.381 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -140.5 157.97 44.7 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.879 1.272 . . . . 0.0 111.756 173.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 42.8 t -155.08 147.0 23.48 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 125.225 1.41 . . . . 0.0 111.69 -178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -62.7 -23.23 67.04 Favored 'General case' 0 CA--C 1.541 0.629 0 O-C-N 121.643 -0.661 . . . . 0.0 112.517 169.716 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 4.1 m -58.63 -48.99 79.15 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 119.105 0.866 . . . . 0.0 112.084 172.66 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -71.4 -32.44 68.43 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.171 -0.956 . . . . 0.0 112.991 178.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -64.48 -47.15 80.04 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 119.002 0.819 . . . . 0.0 111.501 173.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.0 mm -62.51 -44.26 99.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 123.521 0.728 . . . . 0.0 110.162 175.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 58.6 tp -58.15 -53.78 54.39 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-N 119.374 0.988 . . . . 0.0 112.204 176.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -68.07 -40.49 82.73 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.751 0.705 . . . . 0.0 111.567 -174.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 2.0 tpp180 -65.2 -35.29 80.59 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 118.969 0.804 . . . . 0.0 112.26 173.008 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 26.3 tp -70.79 -36.07 72.84 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-N 119.448 1.022 . . . . 0.0 112.275 175.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 65.7 mtp180 -62.79 -45.83 90.84 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.063 0.945 . . . . 0.0 111.134 173.758 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -61.53 -50.48 72.51 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-N 117.923 0.329 . . . . 0.0 111.475 174.301 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 38.9 ttt85 -60.04 -41.13 91.63 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.907 1.283 . . . . 0.0 113.796 -177.274 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 58.6 t -96.94 -34.53 4.98 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.611 0.765 . . . . 0.0 112.464 -173.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.2 m -116.61 -1.64 12.12 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -172.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 84.08 153.25 16.47 Favored Glycine 0 CA--C 1.534 1.27 0 C-N-CA 124.565 1.079 . . . . 0.0 113.26 -179.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 19.5 m -65.48 -22.25 66.72 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 113.962 1.097 . . . . 0.0 113.962 -175.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 31.4 p -90.82 -4.11 56.87 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 125.778 1.631 . . . . 0.0 113.857 174.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . 48.07 -143.03 0.45 Allowed 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.711 1.604 . . . . 0.0 112.962 -177.331 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -74.12 -29.83 62.01 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 121.167 -0.958 . . . . 0.0 112.973 177.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.0 t -158.92 143.72 15.88 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.111 1.364 . . . . 0.0 111.811 176.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.225 0 C-N-CA 126.266 1.827 . . . . 0.0 112.032 177.74 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 37.2 p . . . . . 0 N--CA 1.488 1.468 0 CA-C-O 119.51 -0.281 . . . . 0.0 111.638 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 28.6 m -76.64 156.12 5.63 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 C-N-CA 124.72 1.208 . . . . 0.0 112.506 177.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -76.22 155.78 34.15 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.733 0.813 . . . . 0.0 112.253 175.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 22.0 mm -90.67 136.25 24.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.728 0 C-N-CA 124.738 1.215 . . . . 0.0 110.874 -173.518 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 85.1 mt -75.8 155.63 35.26 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.896 0.878 . . . . 0.0 112.58 179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.5 mtt-85 -69.04 146.08 52.97 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.924 0.889 . . . . 0.0 111.673 176.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.9 p 40.03 -105.74 0.05 Allowed 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 127.081 2.152 . . . . 0.0 114.155 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.2 m -151.69 141.77 22.19 Favored 'General case' 0 N--CA 1.474 0.736 0 C-N-CA 126.824 2.05 . . . . 0.0 110.023 171.444 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 33.4 m -112.37 -1.52 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 N-CA-C 115.262 1.579 . . . . 0.0 115.262 -171.346 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.5 t30 -54.97 -49.85 70.4 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.199 1.0 . . . . 0.0 112.964 -175.717 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -56.53 -45.06 81.34 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.931 0.892 . . . . 0.0 113.151 175.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 13.7 tpt180 -62.55 -47.75 82.52 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 123.592 0.757 . . . . 0.0 111.175 176.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -62.01 -41.65 98.29 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 118.354 0.524 . . . . 0.0 112.089 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 54.9 t -67.34 -47.67 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 123.648 0.779 . . . . 0.0 112.027 177.163 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -68.57 -37.16 79.65 Favored 'General case' 0 CA--C 1.541 0.624 0 O-C-N 121.473 -0.767 . . . . 0.0 112.333 -179.553 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -62.36 -42.13 99.16 Favored 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 123.866 0.867 . . . . 0.0 112.151 169.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.11 -38.75 92.19 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 118.786 0.721 . . . . 0.0 111.602 175.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.7 mt -59.12 -47.78 88.98 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.659 0 C-N-CA 123.721 0.809 . . . . 0.0 111.211 172.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -66.24 -35.31 80.09 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.699 1.136 . . . . 0.0 113.693 175.432 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -63.64 -44.37 94.08 Favored 'General case' 0 CA--C 1.54 0.582 0 O-C-N 121.273 -0.892 . . . . 0.0 111.015 175.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 53.9 mt -63.72 -43.83 98.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 C-N-CA 123.671 0.788 . . . . 0.0 111.18 173.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 31.0 tp -58.41 -43.31 88.56 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.608 0.763 . . . . 0.0 112.059 177.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 79.8 ttt180 -68.64 -47.11 67.42 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 124.08 0.952 . . . . 0.0 112.375 175.305 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -62.34 -41.07 98.26 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.15 0.98 . . . . 0.0 113.233 -178.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 63.7 p -84.63 -11.13 56.55 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 -179.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 52.02 41.33 29.72 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 125.515 1.526 . . . . 0.0 113.065 174.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.0 t -131.26 -176.09 3.91 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.786 1.234 . . . . 0.0 111.936 178.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.4 p -85.15 161.05 19.8 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 123.626 0.77 . . . . 0.0 112.568 -176.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -65.13 -33.92 77.18 Favored 'General case' 0 N--CA 1.475 0.809 0 O-C-N 121.294 -0.879 . . . . 0.0 111.259 175.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 88.6 mt-30 -64.74 -46.65 81.32 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-O 118.864 -0.588 . . . . 0.0 111.341 172.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -64.43 -32.14 73.63 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 119.257 0.935 . . . . 0.0 112.627 177.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -68.41 -44.07 75.84 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 119.163 0.892 . . . . 0.0 112.101 171.288 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.04 -43.43 98.9 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.081 0.855 . . . . 0.0 111.412 174.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -63.67 -41.84 98.12 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.298 1.039 . . . . 0.0 112.8 176.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.84 -39.67 87.71 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 123.19 0.596 . . . . 0.0 111.963 175.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 71.0 mmm -65.95 -42.68 89.68 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.701 0.8 . . . . 0.0 112.142 174.343 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -65.54 -38.78 90.62 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 121.506 -0.746 . . . . 0.0 111.883 175.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 49.5 m -70.07 -20.72 63.21 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 177.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.4 p -113.54 3.59 15.8 Favored 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 114.099 1.148 . . . . 0.0 114.099 -177.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 76.08 26.13 64.98 Favored Glycine 0 CA--C 1.533 1.215 0 C-N-CA 123.791 0.71 . . . . 0.0 114.272 175.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.07 8.99 86.74 Favored Glycine 0 CA--C 1.535 1.305 0 N-CA-C 115.718 1.047 . . . . 0.0 115.718 178.326 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 19.7 mmt180 -78.41 99.77 6.54 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 118.956 1.378 . . . . 0.0 109.774 174.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 67.0 t -54.59 -42.06 58.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.151 0 C-N-CA 123.789 0.836 . . . . 0.0 111.886 -172.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -61.25 -41.76 97.47 Favored 'General case' 0 N--CA 1.481 1.121 0 CA-C-N 119.249 0.931 . . . . 0.0 113.376 178.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 32.2 mt -74.16 -37.33 46.08 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.04 0 C-N-CA 123.347 0.659 . . . . 0.0 109.753 179.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.27 -49.61 73.41 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 123.668 0.787 . . . . 0.0 111.842 177.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 pt -68.58 -35.42 70.13 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 CA-C-O 118.668 -0.682 . . . . 0.0 111.178 177.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.48 -46.08 91.42 Favored 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 119.473 1.033 . . . . 0.0 112.835 171.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.6 tptt -66.36 -40.39 89.76 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 121.357 -0.84 . . . . 0.0 111.851 177.324 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 27.4 tp -68.13 -34.75 76.93 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 124.012 0.925 . . . . 0.0 112.807 178.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 70.9 mt -71.76 -34.46 69.49 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.743 0.817 . . . . 0.0 112.468 170.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 70.3 m -64.83 -20.25 66.3 Favored 'General case' 0 N--CA 1.479 1.012 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 178.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -74.94 -6.01 46.91 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 124.81 1.244 . . . . 0.0 113.983 169.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 56.73 60.12 3.22 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 126.486 1.914 . . . . 0.0 113.585 -177.069 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 40.0 p 53.93 39.81 30.88 Favored 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 116.056 1.872 . . . . 0.0 116.056 167.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 69.8 m -66.07 156.5 33.66 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.025 0.93 . . . . 0.0 113.03 174.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 87.18 -172.14 43.15 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.61 1.1 . . . . 0.0 114.412 -179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.68 168.76 44.1 Favored Glycine 0 CA--C 1.54 1.648 0 C-N-CA 124.628 1.109 . . . . 0.0 113.41 -170.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 84.1 p -149.79 163.3 38.37 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.767 1.227 . . . . 0.0 113.493 -174.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 77.48 174.76 42.07 Favored Glycine 0 CA--C 1.54 1.637 0 C-N-CA 124.991 1.281 . . . . 0.0 114.787 179.598 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -77.4 -177.67 46.68 Favored Glycine 0 CA--C 1.537 1.467 0 C-N-CA 124.589 1.09 . . . . 0.0 114.39 176.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 92.7 p -69.96 154.87 41.39 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.899 0.88 . . . . 0.0 112.792 176.192 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.329 0.3 OUTLIER 48.01 30.96 2.21 Favored 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 127.311 2.244 . . . . 0.0 116.8 170.126 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 2.3 pp -70.86 162.57 29.01 Favored 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.028 1.331 . . . . 0.0 113.512 177.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.71 153.05 48.44 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.188 0.899 . . . . 0.0 113.896 -179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -74.18 164.81 54.76 Favored Glycine 0 CA--C 1.54 1.619 0 C-N-CA 124.517 1.056 . . . . 0.0 114.42 178.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 71.0 m -134.74 155.01 51.31 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.786 1.635 . . . . 0.0 112.104 -179.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.48 158.37 53.32 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 124.163 0.887 . . . . 0.0 113.79 176.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 177.99 -177.63 48.39 Favored Glycine 0 CA--C 1.537 1.414 0 C-N-CA 124.762 1.173 . . . . 0.0 113.45 -179.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.4 m 53.75 38.76 29.21 Favored 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 125.551 1.54 . . . . 0.0 114.334 176.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 84.0 mtp180 -77.26 -21.85 53.04 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 114.222 1.193 . . . . 0.0 114.222 -174.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 27.1 tptp -69.98 135.88 49.86 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.916 1.286 . . . . 0.0 111.544 179.348 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -75.83 148.98 37.98 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.641 1.176 . . . . 0.0 113.135 175.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -149.9 160.07 43.88 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 125.307 1.443 . . . . 0.0 112.54 176.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.7 m -68.29 142.12 55.65 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.789 0.835 . . . . 0.0 112.235 179.624 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.6 m -74.64 -32.96 30.47 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.184 0 N-CA-C 113.734 1.012 . . . . 0.0 113.734 -170.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -154.66 168.02 28.2 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 126.015 1.726 . . . . 0.0 112.495 177.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -173.5 174.72 46.18 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.881 1.229 . . . . 0.0 112.732 178.414 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 98.3 mtp -63.0 -24.89 68.13 Favored 'General case' 0 N--CA 1.477 0.888 0 N-CA-C 113.593 0.96 . . . . 0.0 113.593 -172.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.6 tp -60.75 -14.63 22.49 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.033 1.333 . . . . 0.0 113.957 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 65.9 t80 -55.89 -21.37 19.89 Favored 'General case' 0 CA--C 1.551 1.017 0 O-C-N 121.277 -0.889 . . . . 0.0 113.234 169.554 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.11 -17.14 63.15 Favored 'General case' 0 CA--C 1.55 0.972 0 N-CA-C 114.092 1.145 . . . . 0.0 114.092 172.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 58.4 m -134.49 71.36 1.45 Allowed 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 127.496 2.318 . . . . 0.0 108.55 172.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -60.96 -26.59 67.64 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 114.161 1.171 . . . . 0.0 114.161 -169.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 26.0 p -57.17 -42.15 80.56 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.713 -1.242 . . . . 0.0 112.257 169.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -71.62 -31.76 67.24 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 124.163 0.985 . . . . 0.0 112.129 172.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -65.22 -41.56 94.3 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.928 1.24 . . . . 0.0 112.229 171.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 mp -62.2 -47.13 94.52 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 CA-C-N 119.389 0.995 . . . . 0.0 109.921 172.452 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 58.5 tp -55.77 -47.05 77.7 Favored 'General case' 0 N--CA 1.476 0.836 0 CA-C-N 118.84 0.746 . . . . 0.0 112.175 174.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -61.61 -50.54 72.15 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 123.511 0.724 . . . . 0.0 111.519 179.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -64.4 -36.38 83.97 Favored 'General case' 0 N--CA 1.479 1.006 0 O-C-N 121.295 -0.878 . . . . 0.0 112.029 177.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 44.7 tp -65.78 -40.93 92.44 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.313 0.96 . . . . 0.0 111.557 174.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 46.5 ttp180 -63.09 -48.92 76.56 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 118.73 0.696 . . . . 0.0 111.195 177.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 36.4 mm-40 -66.6 -42.79 86.37 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 118.448 0.567 . . . . 0.0 111.735 179.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 44.1 ttt180 -62.3 -39.17 92.11 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.121 0.968 . . . . 0.0 112.879 177.627 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 74.0 t -83.89 -48.2 17.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.966 0 C-N-CA 123.553 0.741 . . . . 0.0 112.512 -179.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 49.9 m -87.7 -20.92 25.57 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -172.861 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 78.81 160.66 18.11 Favored Glycine 0 CA--C 1.539 1.584 0 C-N-CA 124.614 1.102 . . . . 0.0 113.935 -175.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 15.1 m -75.17 -21.74 58.55 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 -176.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 10.7 t -153.68 166.0 34.18 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 125.557 1.543 . . . . 0.0 111.375 179.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -142.72 156.16 44.98 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 125.398 1.479 . . . . 0.0 112.304 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -107.46 154.94 20.61 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.025 1.33 . . . . 0.0 111.889 -178.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 65.6 p -79.94 -14.34 58.68 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 114.649 1.351 . . . . 0.0 114.649 -178.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.345 0 C-N-CA 126.391 1.877 . . . . 0.0 111.935 178.681 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 N--CA 1.489 1.515 0 N-CA-C 112.017 0.377 . . . . 0.0 112.017 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.7 m -131.52 157.83 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 125.602 1.561 . . . . 0.0 111.995 177.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.4 p -74.76 157.82 34.55 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.442 1.097 . . . . 0.0 112.977 175.127 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 23.8 mm -84.4 133.49 29.12 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 123.79 0.836 . . . . 0.0 110.842 -174.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 96.6 mt -133.36 148.73 51.86 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.871 1.668 . . . . 0.0 110.842 177.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.4 mtt180 -137.31 144.14 42.46 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 125.449 1.5 . . . . 0.0 111.814 -178.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 69.0 p -94.74 -18.58 21.14 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.151 1.38 . . . . 0.0 113.83 175.096 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.2 t -151.99 163.71 38.71 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.998 1.719 . . . . 0.0 111.233 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p -117.98 -2.65 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.007 0 C-N-CA 125.927 1.691 . . . . 0.0 113.079 175.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 35.4 t30 -60.87 -28.71 69.06 Favored 'General case' 0 CA--C 1.549 0.934 0 O-C-N 120.517 -1.364 . . . . 0.0 113.572 -173.367 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.1 p80 -66.44 -21.86 66.21 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.963 1.305 . . . . 0.0 113.931 175.347 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.4 ttp85 -58.85 -42.11 88.55 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.985 0.914 . . . . 0.0 112.244 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.21 -32.03 71.03 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 123.526 0.73 . . . . 0.0 112.326 179.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.6 t -71.13 -45.46 71.47 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.87 0 C-N-CA 123.208 0.603 . . . . 0.0 110.636 174.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -64.19 -41.44 97.07 Favored 'General case' 0 CA--C 1.538 0.498 0 O-C-N 121.844 -0.535 . . . . 0.0 112.289 175.196 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -61.47 -42.6 99.03 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.654 0.781 . . . . 0.0 111.831 173.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.5 -40.29 85.19 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.805 0.729 . . . . 0.0 112.25 176.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.2 mt -58.54 -48.74 84.64 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 123.535 0.734 . . . . 0.0 110.207 171.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -69.31 -34.62 74.95 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 119.022 0.828 . . . . 0.0 113.157 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.5 m-20 -60.26 -51.68 68.51 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 123.35 0.66 . . . . 0.0 110.786 169.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 55.7 mt -59.45 -44.3 92.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 CA-C-N 118.632 0.651 . . . . 0.0 111.148 176.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 29.8 tp -57.14 -44.97 83.88 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.743 1.217 . . . . 0.0 112.18 178.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 37.3 mtm105 -73.29 -41.19 63.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.651 0.78 . . . . 0.0 113.098 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 18.6 m-30 -63.99 -36.39 83.83 Favored 'General case' 0 N--CA 1.475 0.804 0 CA-C-N 119.501 1.046 . . . . 0.0 112.583 177.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 75.1 p -82.47 -9.71 59.32 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 113.778 1.029 . . . . 0.0 113.778 173.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 50.4 t30 50.34 46.14 25.39 Favored 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 125.31 1.444 . . . . 0.0 112.279 -172.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 8.9 t -114.47 176.44 5.05 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.541 1.136 . . . . 0.0 112.949 -169.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.9 t -111.22 150.31 29.73 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 124.993 1.317 . . . . 0.0 110.281 168.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -64.23 -27.73 69.26 Favored 'General case' 0 N--CA 1.475 0.816 0 O-C-N 120.913 -1.117 . . . . 0.0 112.759 -169.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.1 mt-30 -65.71 -42.5 91.05 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.388 -0.82 . . . . 0.0 112.233 171.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 43.5 mt-30 -72.1 -33.54 67.93 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 121.541 -0.725 . . . . 0.0 112.068 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -63.28 -43.85 96.74 Favored 'General case' 0 CA--C 1.544 0.735 0 O-C-N 121.643 -0.661 . . . . 0.0 111.048 171.187 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -62.74 -43.6 98.38 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.273 -0.892 . . . . 0.0 111.545 174.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.7 tt0 -60.95 -41.05 95.54 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 112.688 0.625 . . . . 0.0 112.688 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.16 -40.37 90.47 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 123.333 0.653 . . . . 0.0 112.184 175.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 82.3 mmm -63.5 -44.39 94.48 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 121.414 -0.804 . . . . 0.0 111.74 173.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -62.72 -41.2 99.03 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.005 0.82 . . . . 0.0 111.946 176.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 22.1 t -66.54 -30.52 70.85 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.028 0.931 . . . . 0.0 113.412 176.661 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.6 p -101.84 5.28 41.0 Favored 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 114.224 1.194 . . . . 0.0 114.224 -177.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.53 21.45 69.4 Favored Glycine 0 CA--C 1.537 1.413 0 O-C-N 121.245 -0.909 . . . . 0.0 114.567 175.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 85.52 6.65 83.26 Favored Glycine 0 CA--C 1.534 1.237 0 C-N-CA 124.482 1.039 . . . . 0.0 114.615 -178.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.0 mtt85 -77.3 97.04 4.74 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.24 1.52 . . . . 0.0 110.846 174.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 14.6 p -53.88 -37.75 34.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.205 0 C-N-CA 123.51 0.724 . . . . 0.0 112.561 178.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -60.79 -42.58 97.86 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.245 0.93 . . . . 0.0 113.417 176.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 39.2 mm -78.93 -33.89 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 C-N-CA 123.337 0.655 . . . . 0.0 110.82 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.82 -50.27 72.99 Favored 'General case' 0 CA--C 1.539 0.525 0 O-C-N 121.436 -0.79 . . . . 0.0 111.198 174.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.3 pt -68.69 -34.47 65.1 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 O-C-N 121.417 -0.802 . . . . 0.0 111.611 177.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.72 -44.12 90.34 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.307 0.958 . . . . 0.0 112.544 169.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -67.02 -30.81 71.0 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 124.156 0.982 . . . . 0.0 113.2 176.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -70.22 -36.82 74.8 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 118.708 0.685 . . . . 0.0 112.589 169.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 87.3 mt -88.6 -24.49 22.82 Favored 'General case' 0 CA--C 1.544 0.735 0 N-CA-C 114.577 1.325 . . . . 0.0 114.577 -173.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 89.2 p -62.65 -17.33 60.24 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.272 1.582 . . . . 0.0 115.272 -172.029 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -69.77 -16.47 63.3 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 114.366 1.247 . . . . 0.0 114.366 173.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -73.07 145.9 46.22 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.944 0.897 . . . . 0.0 111.654 177.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 26.8 p -138.6 154.25 48.68 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.125 1.37 . . . . 0.0 112.874 -176.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 14.9 m -79.84 173.47 12.56 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.768 1.627 . . . . 0.0 111.69 171.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.63 145.34 28.48 Favored Glycine 0 CA--C 1.537 1.44 0 O-C-N 121.677 -0.64 . . . . 0.0 112.955 172.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.42 23.29 73.47 Favored Glycine 0 CA--C 1.539 1.574 0 O-C-N 122.229 -0.571 . . . . 0.0 113.841 -171.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.5 m 56.25 29.79 15.51 Favored 'General case' 0 N--CA 1.479 0.984 0 C-N-CA 126.399 1.88 . . . . 0.0 114.356 -172.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -77.02 -171.58 35.17 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 124.83 1.205 . . . . 0.0 114.502 176.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -167.97 176.31 42.58 Favored Glycine 0 CA--C 1.535 1.338 0 C-N-CA 124.236 0.922 . . . . 0.0 113.642 176.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 22.7 m -74.09 -15.23 61.06 Favored 'General case' 0 N--CA 1.478 0.953 0 N-CA-C 114.804 1.409 . . . . 0.0 114.804 -172.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.8 tmtt? -134.69 140.8 46.26 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.771 1.628 . . . . 0.0 111.222 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 3.0 pp -139.44 167.62 21.68 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.686 1.595 . . . . 0.0 111.914 175.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.64 -169.42 47.83 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 124.084 0.85 . . . . 0.0 114.656 -179.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -70.68 -179.31 27.87 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 125.161 1.362 . . . . 0.0 115.248 -178.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.9 m -127.88 19.4 6.6 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.295 1.438 . . . . 0.0 113.526 -174.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.89 -160.67 52.15 Favored Glycine 0 CA--C 1.537 1.432 0 C-N-CA 124.601 1.096 . . . . 0.0 114.004 -175.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -70.74 163.52 53.5 Favored Glycine 0 CA--C 1.535 1.298 0 C-N-CA 124.14 0.876 . . . . 0.0 114.245 178.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 65.5 p -67.38 -26.81 66.64 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 124.43 1.092 . . . . 0.0 113.38 178.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 31.0 mmm180 -119.98 135.53 54.88 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.579 1.952 . . . . 0.0 109.798 169.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 29.6 mtmm -139.32 154.41 47.9 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 126.206 1.803 . . . . 0.0 111.575 -177.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 35.1 t0 -147.29 157.81 43.73 Favored 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 125.517 1.527 . . . . 0.0 111.276 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.9 mt 53.34 34.56 18.19 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 125.894 1.678 . . . . 0.0 113.519 -174.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 19.3 m -62.31 147.43 48.22 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.322 1.449 . . . . 0.0 113.34 -175.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 27.7 m -76.88 161.15 4.69 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 123.99 0.916 . . . . 0.0 112.46 176.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.44 161.37 31.16 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.535 1.134 . . . . 0.0 113.252 178.169 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -176.77 175.74 47.72 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 124.949 1.262 . . . . 0.0 112.977 179.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 28.3 ttt -72.8 127.77 33.53 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.678 0.791 . . . . 0.0 111.875 -178.56 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 66.3 tp -151.79 135.75 16.49 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.963 1.705 . . . . 0.0 109.78 172.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 29.8 m-85 -69.35 151.97 45.53 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.285 0.634 . . . . 0.0 112.237 178.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -145.94 123.99 12.11 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.811 0.845 . . . . 0.0 113.259 176.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 21.0 p -159.74 166.67 30.0 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 126.945 2.098 . . . . 0.0 110.131 170.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -68.59 130.33 42.53 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.287 -0.883 . . . . 0.0 112.556 -178.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 24.1 p -77.42 -48.27 17.65 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 83.6 mt-30 -70.37 -45.46 65.99 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -167.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 88.1 mt-30 -66.63 -44.42 82.05 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-N 119.754 1.161 . . . . 0.0 111.039 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 42.8 mm -59.35 -49.73 82.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 C-N-CA 124.055 0.942 . . . . 0.0 110.475 175.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -64.83 -45.99 83.81 Favored 'General case' 0 C--N 1.343 0.296 0 CA-C-N 118.664 0.666 . . . . 0.0 111.48 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 63.1 t30 -61.25 -49.86 75.38 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-N 119.486 1.039 . . . . 0.0 111.341 -178.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.6 tpp85 -70.53 -31.53 68.63 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.576 1.08 . . . . 0.0 113.085 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.0 tp -67.96 -40.18 83.23 Favored 'General case' 0 CA--C 1.541 0.613 0 CA-C-N 119.16 0.891 . . . . 0.0 111.881 172.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 60.3 ttp85 -65.19 -42.61 93.43 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.691 1.196 . . . . 0.0 110.966 175.595 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -60.99 -51.72 68.04 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 118.376 0.535 . . . . 0.0 111.019 175.636 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 41.9 ttm180 -61.44 -41.43 97.19 Favored 'General case' 0 N--CA 1.474 0.77 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 85.4 t -86.78 -39.61 13.4 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 N-CA-C 112.903 0.705 . . . . 0.0 112.903 -174.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.7 m -111.53 -11.71 14.04 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.77 1.396 . . . . 0.0 114.77 -169.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 123.67 136.87 4.83 Favored Glycine 0 CA--C 1.535 1.31 0 C-N-CA 125.207 1.384 . . . . 0.0 113.511 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 48.8 m -79.07 70.48 5.43 Favored 'General case' 0 N--CA 1.475 0.792 0 C-N-CA 125.282 1.433 . . . . 0.0 113.211 -172.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.2 t -142.37 154.2 44.44 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.611 1.564 . . . . 0.0 111.446 175.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -128.13 16.52 6.7 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 125.537 1.535 . . . . 0.0 112.848 174.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -72.14 151.42 43.02 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.085 0.954 . . . . 0.0 112.244 -178.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 37.9 m -67.95 150.49 48.43 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.566 1.146 . . . . 0.0 113.148 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.378 0 C-N-CA 124.813 1.245 . . . . 0.0 112.926 175.748 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.4 t . . . . . 0 N--CA 1.49 1.545 0 CA-C-O 120.636 0.255 . . . . 0.0 111.596 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 62.1 t -75.36 140.01 18.11 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 125.133 1.373 . . . . 0.0 110.985 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.0 m -79.47 60.46 3.22 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.187 1.395 . . . . 0.0 112.512 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -65.86 155.62 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.453 1.101 . . . . 0.0 113.046 -179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.6 mt -123.86 160.73 26.8 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 125.928 1.691 . . . . 0.0 111.466 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 53.06 38.55 27.63 Favored 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 125.998 1.719 . . . . 0.0 113.565 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 52.5 p -69.71 159.72 32.98 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.452 1.501 . . . . 0.0 113.189 178.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.0 t -71.32 155.0 41.18 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.808 0.843 . . . . 0.0 113.028 -179.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 6.1 p -107.43 -0.71 9.91 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.055 0 C-N-CA 125.968 1.707 . . . . 0.0 112.989 174.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 28.9 t30 -54.45 -45.72 73.14 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.869 1.267 . . . . 0.0 113.457 -171.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 17.2 p-80 -66.01 -37.57 86.25 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.593 1.157 . . . . 0.0 112.87 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 45.3 ttp180 -67.07 -37.22 83.64 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 118.495 0.588 . . . . 0.0 111.059 173.743 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -66.96 -42.39 85.3 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.357 0.663 . . . . 0.0 112.251 176.185 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 m -71.11 -32.3 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 CA-C-N 119.571 1.078 . . . . 0.0 113.161 173.221 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -68.51 -39.7 81.13 Favored 'General case' 0 N--CA 1.471 0.6 0 CA-C-N 119.804 1.184 . . . . 0.0 112.557 172.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 50.3 tp10 -60.89 -43.01 99.09 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.344 -0.848 . . . . 0.0 111.258 169.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.87 -41.78 98.26 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 121.791 -0.568 . . . . 0.0 111.801 176.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 27.0 mt -58.08 -45.81 88.29 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.777 0 C-N-CA 124.037 0.935 . . . . 0.0 111.415 170.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.44 -36.75 83.58 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.394 0.997 . . . . 0.0 112.592 -179.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.9 m-80 -67.88 -40.3 83.59 Favored 'General case' 0 N--CA 1.469 0.523 0 O-C-N 121.208 -0.933 . . . . 0.0 111.732 173.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 46.3 mt -62.28 -45.15 99.43 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 C-N-CA 123.398 0.679 . . . . 0.0 110.754 172.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.7 tp -58.56 -44.76 89.83 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 124.719 1.208 . . . . 0.0 111.814 178.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 75.7 mtt-85 -69.5 -41.56 75.91 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.521 0.728 . . . . 0.0 112.779 176.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 27.2 t80 -65.21 -45.51 84.45 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.175 0.99 . . . . 0.0 112.812 178.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.7 p -75.31 -13.44 60.42 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 114.025 1.12 . . . . 0.0 114.025 179.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.295 13.9 p30 51.27 33.87 10.52 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 125.664 1.586 . . . . 0.0 114.334 178.146 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 58.1 m -114.74 173.35 6.52 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.273 1.429 . . . . 0.0 111.978 177.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.5 p -79.31 160.57 26.72 Favored 'General case' 0 N--CA 1.476 0.856 0 CA-C-O 121.543 0.687 . . . . 0.0 111.593 174.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -64.37 -31.28 72.42 Favored 'General case' 0 N--CA 1.474 0.728 0 O-C-N 121.459 -0.775 . . . . 0.0 111.581 172.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.2 mm-40 -67.83 -43.87 78.55 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 123.225 0.61 . . . . 0.0 111.841 176.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -69.13 -33.0 72.76 Favored 'General case' 0 CA--C 1.54 0.572 0 O-C-N 121.258 -0.901 . . . . 0.0 111.826 175.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -65.3 -41.05 94.46 Favored 'General case' 0 CA--C 1.546 0.805 0 O-C-N 121.391 -0.818 . . . . 0.0 111.628 171.046 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.52 -49.08 78.98 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.589 0.756 . . . . 0.0 111.813 172.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -59.34 -39.98 84.91 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.524 0.564 . . . . 0.0 112.524 177.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.06 -42.69 80.1 Favored 'General case' 0 CA--C 1.534 0.335 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 175.648 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.3 mmm -62.39 -42.34 99.35 Favored 'General case' 0 N--CA 1.475 0.794 0 O-C-N 121.058 -1.026 . . . . 0.0 111.646 174.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -68.69 -35.43 77.17 Favored 'General case' 0 N--CA 1.473 0.714 0 O-C-N 121.298 -0.876 . . . . 0.0 112.475 176.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 m -77.96 -24.42 48.15 Favored 'General case' 0 N--CA 1.477 0.902 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 179.551 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 78.3 p -101.35 1.31 38.41 Favored 'General case' 0 N--CA 1.483 1.224 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 83.17 25.27 49.07 Favored Glycine 0 CA--C 1.533 1.165 0 O-C-N 121.726 -0.608 . . . . 0.0 114.156 176.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.52 2.45 88.92 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-O 118.501 -1.166 . . . . 0.0 115.736 175.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 43.9 mtm180 -78.28 114.89 17.58 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 119.79 1.795 . . . . 0.0 111.249 178.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.1 p -59.23 -39.36 78.57 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 CA-C-O 119.134 -0.46 . . . . 0.0 112.033 -179.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.1 ptm180 -61.68 -41.76 98.0 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.0 mm -75.4 -36.38 35.61 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.943 0 C-N-CA 122.986 0.514 . . . . 0.0 110.188 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.01 -47.46 74.4 Favored 'General case' 0 CA--C 1.539 0.524 0 O-C-N 121.64 -0.662 . . . . 0.0 111.972 177.327 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 14.9 pt -66.81 -35.42 74.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 O-C-N 121.439 -0.788 . . . . 0.0 111.264 175.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.87 -45.42 92.54 Favored 'General case' 0 CA--C 1.542 0.662 0 CA-C-N 119.79 1.177 . . . . 0.0 112.794 171.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 70.5 mmtt -64.74 -36.82 85.53 Favored 'General case' 0 N--CA 1.48 1.028 0 O-C-N 121.413 -0.804 . . . . 0.0 112.705 176.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 8.2 mp -69.34 -39.0 78.43 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 173.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.6 mt -72.47 -26.3 61.75 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 119.364 0.984 . . . . 0.0 112.31 176.526 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.4 m -79.11 11.42 2.8 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 125.199 1.4 . . . . 0.0 114.48 177.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt -58.28 -23.36 55.98 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 114.84 1.422 . . . . 0.0 114.84 179.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -146.12 166.47 26.05 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 125.85 1.66 . . . . 0.0 111.939 175.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.3 p -131.25 156.57 45.17 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.7 1.6 . . . . 0.0 111.949 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 60.7 p -80.94 -23.28 38.98 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 114.134 1.161 . . . . 0.0 114.134 -178.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 166.63 -175.48 41.97 Favored Glycine 0 CA--C 1.537 1.433 0 C-N-CA 125.142 1.354 . . . . 0.0 113.403 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -74.98 173.86 52.15 Favored Glycine 0 CA--C 1.539 1.573 0 C-N-CA 124.624 1.107 . . . . 0.0 114.346 174.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.6 t -145.52 157.75 43.95 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.343 1.457 . . . . 0.0 112.23 178.525 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -70.39 155.83 53.15 Favored Glycine 0 CA--C 1.539 1.567 0 C-N-CA 124.626 1.108 . . . . 0.0 114.314 -178.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -78.72 -8.1 87.88 Favored Glycine 0 CA--C 1.54 1.64 0 C-N-CA 124.358 0.98 . . . . 0.0 115.316 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 89.0 p -145.6 166.47 25.67 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.847 1.659 . . . . 0.0 112.259 -178.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -76.76 117.59 18.53 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.44 1.096 . . . . 0.0 110.334 177.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.1 mt -120.98 -5.1 9.57 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 114.543 1.312 . . . . 0.0 114.543 -175.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -173.8 170.24 43.36 Favored Glycine 0 CA--C 1.536 1.376 0 C-N-CA 124.557 1.075 . . . . 0.0 113.67 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.12 -163.16 54.91 Favored Glycine 0 CA--C 1.537 1.419 0 C-N-CA 124.535 1.064 . . . . 0.0 114.781 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 40.3 m -65.47 158.03 27.92 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.257 1.423 . . . . 0.0 113.823 -177.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.83 165.36 45.05 Favored Glycine 0 CA--C 1.539 1.536 0 C-N-CA 124.289 0.947 . . . . 0.0 114.25 175.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -68.59 155.39 53.38 Favored Glycine 0 CA--C 1.538 1.487 0 C-N-CA 124.314 0.959 . . . . 0.0 114.229 -178.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 63.9 p -80.16 162.75 24.56 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 125.248 1.419 . . . . 0.0 113.283 178.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.0 mtp180 -68.71 151.98 45.95 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.52 1.128 . . . . 0.0 112.3 176.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -70.65 -36.13 73.24 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.282 1.033 . . . . 0.0 112.105 174.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -89.18 147.91 23.92 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.224 1.41 . . . . 0.0 112.725 174.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 10.9 mp -109.87 145.27 37.08 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 124.949 1.3 . . . . 0.0 111.328 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 67.8 p -83.09 158.35 22.47 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 124.663 1.185 . . . . 0.0 112.716 175.405 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 11.2 p -149.27 149.53 14.72 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.951 0 C-N-CA 125.27 1.428 . . . . 0.0 111.058 177.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 23.0 ptmt -141.88 161.9 36.8 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.487 1.515 . . . . 0.0 112.861 -179.682 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 80.69 164.88 32.16 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.17 1.367 . . . . 0.0 114.335 -177.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -97.15 -12.95 22.46 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.471 1.286 . . . . 0.0 114.471 -176.317 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 56.6 tp -145.08 146.15 31.72 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 126.09 1.756 . . . . 0.0 110.612 -172.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -124.31 147.66 47.99 Favored 'General case' 0 N--CA 1.471 0.617 0 C-N-CA 124.895 1.278 . . . . 0.0 111.891 -176.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -151.1 150.96 31.31 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 125.136 1.375 . . . . 0.0 111.644 -178.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 46.8 t -148.81 141.11 24.11 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.583 1.153 . . . . 0.0 112.121 175.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -79.53 -6.15 56.39 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.645 1.178 . . . . 0.0 112.964 175.522 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 10.8 m -52.58 -34.99 53.09 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.852 1.261 . . . . 0.0 113.68 179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 49.3 mm-40 -67.24 -42.25 84.3 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.041 0.837 . . . . 0.0 112.207 178.452 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 21.7 mt-30 -67.26 -41.25 85.85 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.504 -0.748 . . . . 0.0 111.461 175.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 32.2 mm -61.89 -47.38 93.51 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.514 0 CA-C-O 118.719 -0.657 . . . . 0.0 110.646 174.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 58.2 tp -59.35 -48.88 79.97 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 119.769 1.168 . . . . 0.0 111.914 177.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 48.9 t30 -58.31 -53.75 54.77 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 118.283 0.492 . . . . 0.0 110.895 179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 3.2 tpp180 -67.14 -35.13 79.05 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-O 118.264 -0.874 . . . . 0.0 112.604 -178.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -66.98 -50.98 60.58 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-N 119.392 0.997 . . . . 0.0 111.008 176.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -63.12 -41.03 99.25 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 123.286 0.634 . . . . 0.0 110.824 -178.021 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.5 mt-10 -68.44 -46.57 69.48 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 119.094 0.861 . . . . 0.0 112.793 174.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.19 -25.06 65.04 Favored 'General case' 0 N--CA 1.481 1.109 0 CA-C-N 119.609 1.095 . . . . 0.0 113.845 -177.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 4.8 p -88.72 -36.79 9.4 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 N-CA-C 114.021 1.119 . . . . 0.0 114.021 173.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.1 p -92.28 -22.03 19.97 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 -174.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -70.74 129.72 19.3 Favored Glycine 0 CA--C 1.532 1.12 0 CA-C-N 118.944 0.793 . . . . 0.0 113.946 -173.458 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 20.1 m -63.48 -23.71 67.51 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.885 1.068 . . . . 0.0 113.885 -175.323 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 34.8 p -81.64 -23.48 36.94 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.189 1.396 . . . . 0.0 113.354 174.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -89.95 -31.94 17.03 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.796 1.239 . . . . 0.0 112.468 175.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 88.2 mt-30 -68.56 157.84 35.18 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 124.571 1.148 . . . . 0.0 112.448 171.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 40.4 m -66.03 149.13 50.73 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.39 1.076 . . . . 0.0 112.91 177.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.276 0 C-N-CA 124.569 1.148 . . . . 0.0 113.026 175.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.0 m . . . . . 0 N--CA 1.488 1.475 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.9 m -75.41 157.14 5.95 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 123.952 0.901 . . . . 0.0 112.492 176.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 p -73.74 158.8 33.97 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.403 1.081 . . . . 0.0 112.808 174.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.8 mp -77.75 133.94 29.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.744 0 C-N-CA 123.998 0.919 . . . . 0.0 109.032 176.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 95.9 mt -132.36 154.26 49.95 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.696 1.598 . . . . 0.0 111.446 -178.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 76.7 ttt180 -70.95 -28.32 64.39 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 124.176 0.99 . . . . 0.0 113.061 -179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 80.9 p -145.76 161.63 39.48 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 125.799 1.64 . . . . 0.0 112.522 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.3 t -149.58 170.57 18.33 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 125.344 1.457 . . . . 0.0 111.891 177.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 5.7 p -112.39 2.16 8.65 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 C-N-CA 125.991 1.716 . . . . 0.0 112.831 176.244 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.3 p-10 -59.15 -33.19 70.62 Favored 'General case' 0 CA--C 1.541 0.623 0 O-C-N 120.845 -1.16 . . . . 0.0 113.612 -174.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 2.8 p-80 -64.48 -50.22 68.33 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 124.46 1.104 . . . . 0.0 111.64 175.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 tpp180 -63.27 -43.02 99.14 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.77 1.228 . . . . 0.0 111.649 176.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -63.11 -43.22 99.05 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 123.43 0.692 . . . . 0.0 112.075 178.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 55.0 t -73.31 -35.59 46.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 O-C-N 121.506 -0.746 . . . . 0.0 112.226 176.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.413 ' CG ' HH21 ' A' ' 95' ' ' ARG . 18.8 t70 -64.11 -43.37 95.55 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 121.19 -0.944 . . . . 0.0 111.65 174.575 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -62.39 -41.45 98.67 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 123.938 0.895 . . . . 0.0 112.237 169.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.8 -37.66 88.21 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 121.618 -0.676 . . . . 0.0 111.879 176.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.8 mt -62.33 -47.42 93.14 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 CA-C-O 118.098 -0.953 . . . . 0.0 110.614 172.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -62.65 -36.71 83.71 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 120.468 1.485 . . . . 0.0 113.025 175.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -64.36 -43.4 94.66 Favored 'General case' 0 CA--C 1.543 0.702 0 O-C-N 121.172 -0.955 . . . . 0.0 111.769 175.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 54.1 mt -63.51 -43.75 98.46 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.798 0.839 . . . . 0.0 110.906 173.379 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 27.1 tp -60.48 -42.54 96.48 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 124.49 1.116 . . . . 0.0 111.501 -179.557 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -68.33 -45.04 73.98 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.179 0.991 . . . . 0.0 112.441 173.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 47.3 t80 -64.2 -40.12 95.41 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.503 0.927 . . . . 0.0 113.503 -178.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.8 p -85.18 -13.22 50.71 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.374 1.25 . . . . 0.0 114.374 -176.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 46.6 t30 52.91 52.02 14.73 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 124.814 1.246 . . . . 0.0 112.443 -177.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.2 m -136.81 169.16 18.2 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 125.465 1.506 . . . . 0.0 111.987 -178.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 32.7 p -84.74 161.57 19.96 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.312 0.645 . . . . 0.0 111.989 176.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -66.03 -31.32 72.15 Favored 'General case' 0 N--CA 1.473 0.678 0 O-C-N 121.162 -0.961 . . . . 0.0 111.666 174.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.9 mt-30 -65.23 -44.95 86.56 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 122.99 0.516 . . . . 0.0 111.332 173.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.4 mm-40 -64.38 -36.93 85.75 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 118.516 0.598 . . . . 0.0 111.781 175.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -66.72 -42.03 87.0 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.557 -0.714 . . . . 0.0 111.847 174.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.74 -48.48 81.61 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 118.902 0.773 . . . . 0.0 111.036 173.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -59.07 -41.47 88.05 Favored 'General case' 0 CA--C 1.54 0.582 0 N-CA-C 112.731 0.641 . . . . 0.0 112.731 175.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.44 -38.86 92.5 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.382 0.673 . . . . 0.0 112.295 175.037 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 85.3 mmm -69.53 -39.8 77.27 Favored 'General case' 0 N--CA 1.47 0.568 0 O-C-N 120.899 -1.126 . . . . 0.0 112.657 175.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 80.2 mm-40 -66.64 -44.1 82.85 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 119.432 1.015 . . . . 0.0 112.008 175.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 62.2 m -71.92 -19.35 61.93 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 178.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 64.2 p -94.52 -2.79 51.02 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 171.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.43 26.13 66.44 Favored Glycine 0 CA--C 1.534 1.257 0 O-C-N 121.761 -0.587 . . . . 0.0 113.762 177.391 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 81.6 59.23 2.39 Favored Glycine 0 CA--C 1.527 0.818 0 C-N-CA 124.015 0.817 . . . . 0.0 112.976 -175.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.0 mmt-85 -133.54 101.49 5.15 Favored 'General case' 0 N--CA 1.48 1.051 0 CA-C-N 118.123 0.961 . . . . 0.0 112.857 171.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.8 p -58.55 -38.27 69.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.688 0.795 . . . . 0.0 113.077 -175.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.7 ptm180 -62.08 -43.41 98.89 Favored 'General case' 0 N--CA 1.485 1.288 0 CA-C-N 119.557 1.071 . . . . 0.0 113.22 176.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 26.4 mt -74.17 -35.65 41.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.891 0 C-N-CA 123.421 0.688 . . . . 0.0 110.029 178.323 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -66.4 -46.12 77.69 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.545 -0.722 . . . . 0.0 111.748 177.221 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 19.9 pt -66.94 -36.17 76.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 CA-C-N 119.435 1.016 . . . . 0.0 111.473 174.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.72 -43.49 90.14 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 119.163 0.892 . . . . 0.0 112.249 169.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -65.53 -39.06 91.36 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.307 1.043 . . . . 0.0 112.209 177.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 96.0 mt -69.37 -31.89 70.59 Favored 'General case' 0 N--CA 1.475 0.805 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 174.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.6 mt -79.05 -26.99 43.09 Favored 'General case' 0 N--CA 1.475 0.801 0 CA-C-N 119.051 0.842 . . . . 0.0 112.974 174.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.9 m -64.55 -5.62 5.87 Favored 'General case' 0 N--CA 1.48 1.028 0 N-CA-C 115.306 1.595 . . . . 0.0 115.306 -178.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 20.7 pttm -68.25 -20.57 64.81 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.168 0.894 . . . . 0.0 113.259 169.194 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 86.8 mt-30 -79.5 151.66 30.64 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.481 1.112 . . . . 0.0 111.291 172.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 32.6 p -131.69 153.82 49.61 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.976 1.31 . . . . 0.0 112.764 -176.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 87.0 p -147.96 166.32 28.05 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.851 1.66 . . . . 0.0 112.089 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 70.34 -146.22 42.11 Favored Glycine 0 CA--C 1.539 1.562 0 C-N-CA 123.918 0.77 . . . . 0.0 113.422 -177.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -166.51 179.88 40.2 Favored Glycine 0 CA--C 1.535 1.305 0 C-N-CA 124.641 1.115 . . . . 0.0 113.907 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 75.0 p -81.04 -8.07 59.69 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -176.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -171.66 -173.45 38.54 Favored Glycine 0 CA--C 1.537 1.427 0 C-N-CA 124.82 1.2 . . . . 0.0 113.637 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 79.69 3.21 88.97 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.669 1.128 . . . . 0.0 115.638 178.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 20.6 t -151.53 152.63 33.2 Favored 'General case' 0 N--CA 1.473 0.679 0 C-N-CA 125.552 1.541 . . . . 0.0 111.208 176.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.84 158.55 44.24 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.7 1.6 . . . . 0.0 112.835 -179.708 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 82.5 mt 51.33 35.97 15.16 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.51 1.924 . . . . 0.0 114.633 177.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.69 163.07 53.43 Favored Glycine 0 CA--C 1.538 1.486 0 C-N-CA 124.483 1.039 . . . . 0.0 114.273 179.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 74.14 -177.64 45.21 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.896 1.236 . . . . 0.0 115.088 178.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.3 m -72.37 151.22 42.81 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.5 1.12 . . . . 0.0 112.786 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.44 158.32 51.56 Favored Glycine 0 CA--C 1.538 1.489 0 C-N-CA 124.199 0.904 . . . . 0.0 114.567 179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 75.81 161.59 10.72 Favored Glycine 0 CA--C 1.538 1.499 0 C-N-CA 125.392 1.473 . . . . 0.0 114.737 179.768 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.1 m -73.55 -32.71 64.33 Favored 'General case' 0 N--CA 1.479 0.989 0 O-C-N 121.608 -0.937 . . . . 0.0 113.321 -175.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.8 mtt180 -87.09 -20.1 27.6 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 -178.596 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? 59.5 165.57 0.06 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 127.644 2.377 . . . . 0.0 113.668 -170.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -69.43 143.48 53.58 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.983 0.913 . . . . 0.0 112.244 179.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.1 tp 48.83 52.68 13.69 Favored 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 126.206 1.802 . . . . 0.0 113.653 179.449 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 72.6 p -60.89 -31.04 70.53 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.325 1.05 . . . . 0.0 113.362 177.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 26.9 m -136.52 160.69 37.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.806 0 C-N-CA 127.108 2.163 . . . . 0.0 110.759 169.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -148.67 157.24 43.32 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 125.168 1.387 . . . . 0.0 112.576 179.052 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 59.77 18.86 47.59 Favored Glycine 0 CA--C 1.539 1.541 0 C-N-CA 125.3 1.428 . . . . 0.0 116.25 171.002 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . 0.284 23.9 ptp 46.67 35.37 3.0 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 126.608 1.963 . . . . 0.0 114.866 -169.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -62.35 144.92 55.15 Favored 'General case' 0 CA--C 1.545 0.774 0 C-N-CA 124.12 0.968 . . . . 0.0 112.323 177.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -95.44 168.46 10.69 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.917 1.287 . . . . 0.0 112.637 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.3 t0 -67.93 154.58 41.28 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 124.873 1.269 . . . . 0.0 113.19 179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 25.4 m -73.33 146.37 45.29 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 -169.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -79.61 62.34 3.87 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 125.219 1.408 . . . . 0.0 112.643 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 63.7 m -65.27 -23.06 66.94 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -169.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -63.47 -40.58 97.49 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-N 119.259 0.936 . . . . 0.0 113.191 -172.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -67.44 -40.31 85.43 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 118.794 0.725 . . . . 0.0 111.728 176.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 mp -65.37 -45.32 93.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 123.4 0.68 . . . . 0.0 109.371 177.559 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -58.84 -48.71 80.4 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.791 0.836 . . . . 0.0 111.661 176.328 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 14.3 t30 -57.4 -52.39 65.54 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 118.633 0.651 . . . . 0.0 111.567 176.093 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 31.4 tpt180 -69.13 -29.76 67.87 Favored 'General case' 0 N--CA 1.474 0.733 0 O-C-N 121.275 -0.89 . . . . 0.0 113.008 -176.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.5 tp -71.21 -36.17 71.78 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 119.171 0.896 . . . . 0.0 111.894 173.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -65.84 -38.27 88.44 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 118.757 0.708 . . . . 0.0 111.732 171.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 90.4 mt-10 -60.82 -53.34 58.58 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.069 0.85 . . . . 0.0 110.981 172.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . 0.413 HH21 ' CG ' ' A' ' 15' ' ' ASP . 19.2 mtt180 -59.01 -43.72 91.57 Favored 'General case' 0 N--CA 1.478 0.925 0 N-CA-C 113.668 0.988 . . . . 0.0 113.668 -178.333 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 60.3 t -95.63 -33.93 5.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 -171.371 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.4 m -113.52 -10.23 13.2 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 114.437 1.273 . . . . 0.0 114.437 -173.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -73.61 173.39 49.6 Favored Glycine 0 CA--C 1.536 1.39 0 CA-C-N 119.741 1.155 . . . . 0.0 113.912 172.769 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 86.5 p -143.7 163.85 32.13 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.206 1.402 . . . . 0.0 113.008 -178.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.0 m 55.55 38.85 30.77 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 125.719 1.608 . . . . 0.0 113.113 176.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.53 -21.06 66.58 Favored 'General case' 0 CA--C 1.548 0.868 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -172.309 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -70.01 -20.23 63.28 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.458 1.103 . . . . 0.0 113.188 174.001 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 4.0 t 58.15 -177.69 0.07 Allowed 'General case' 0 CA--C 1.549 0.922 0 C-N-CA 125.936 1.694 . . . . 0.0 114.192 -172.238 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.33 0 C-N-CA 125.738 1.615 . . . . 0.0 112.895 -179.71 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 112.642 0.608 . . . . 0.0 112.642 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 27.8 m -132.21 158.01 43.2 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.348 0 C-N-CA 125.158 1.383 . . . . 0.0 111.773 176.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.8 m -65.46 144.72 56.86 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.159 0.984 . . . . 0.0 112.173 177.655 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -62.97 -16.28 17.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 N-CA-C 115.143 1.534 . . . . 0.0 115.143 -173.572 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 39.7 tp -71.77 -21.22 61.76 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 124.57 1.148 . . . . 0.0 113.106 174.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 30.2 mmm180 -78.74 147.02 33.56 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.343 1.057 . . . . 0.0 111.947 -179.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 28.0 m -70.67 148.38 48.11 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.167 0.987 . . . . 0.0 112.274 177.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 93.8 p -78.14 163.43 25.85 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.0 0.92 . . . . 0.0 113.09 178.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 7.4 p -59.56 -25.5 31.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.206 0 N-CA-C 113.367 0.877 . . . . 0.0 113.367 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.5 t-20 -60.02 -27.69 67.11 Favored 'General case' 0 CA--C 1.543 0.679 0 O-C-N 121.439 -0.788 . . . . 0.0 113.008 177.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -65.96 -53.19 42.24 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 121.091 -1.006 . . . . 0.0 111.431 176.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -68.59 -35.01 76.78 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 113.073 0.768 . . . . 0.0 113.073 176.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -57.64 -50.81 71.93 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.225 1.01 . . . . 0.0 112.106 174.53 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 43.1 t -79.2 -33.26 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 CA-C-O 118.954 -0.546 . . . . 0.0 111.392 -176.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -60.58 -44.93 95.67 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-N 119.543 1.065 . . . . 0.0 112.044 169.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -62.97 -43.03 99.9 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 123.565 0.746 . . . . 0.0 111.832 174.237 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.34 -43.73 96.9 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 118.623 0.647 . . . . 0.0 111.89 177.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 50.8 mt -60.12 -48.58 87.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.651 0 CA-C-O 118.567 -0.73 . . . . 0.0 110.458 174.308 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 34.1 t70 -61.35 -38.36 86.68 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.515 1.052 . . . . 0.0 112.905 177.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 51.8 t30 -61.54 -47.78 84.01 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.381 0.672 . . . . 0.0 111.251 174.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -62.47 -46.76 95.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 CA-C-N 118.74 0.7 . . . . 0.0 110.971 175.061 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 22.5 tp -57.24 -45.66 83.7 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 124.894 1.278 . . . . 0.0 111.776 -177.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.4 mmp_? -80.27 -33.23 37.97 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.762 1.023 . . . . 0.0 113.762 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -62.13 -39.89 94.09 Favored 'General case' 0 N--CA 1.478 0.937 0 CA-C-N 119.655 1.116 . . . . 0.0 111.98 170.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 18.8 m -82.8 -11.97 57.84 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 124.678 1.191 . . . . 0.0 112.462 177.13 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 48.2 t30 50.62 40.01 22.82 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 125.867 1.667 . . . . 0.0 113.412 -172.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 31.4 p -103.74 173.94 6.09 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 125.257 1.423 . . . . 0.0 112.607 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 12.0 t -107.05 157.06 18.12 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.39 1.076 . . . . 0.0 110.996 168.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 92.6 mt-10 -66.35 -34.0 76.99 Favored 'General case' 0 N--CA 1.477 0.916 0 O-C-N 120.428 -1.42 . . . . 0.0 113.645 -168.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 61.7 mt-30 -68.44 -43.77 76.37 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 121.501 -0.749 . . . . 0.0 111.293 174.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -59.38 -41.25 88.91 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 124.355 1.062 . . . . 0.0 111.52 172.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -66.15 -41.35 90.51 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.667 -0.646 . . . . 0.0 111.707 176.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -60.62 -45.96 92.07 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-N 119.313 0.961 . . . . 0.0 111.622 173.39 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -63.96 -37.3 86.9 Favored 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 176.359 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -65.33 -42.81 92.53 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 123.492 0.717 . . . . 0.0 112.146 174.511 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 68.6 mmm -63.81 -44.25 93.84 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 123.485 0.714 . . . . 0.0 111.411 174.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -61.45 -41.52 97.34 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-N 118.868 0.758 . . . . 0.0 111.987 175.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 23.3 t -67.57 -32.24 72.86 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 113.487 0.921 . . . . 0.0 113.487 177.701 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 77.4 p -102.05 7.06 41.3 Favored 'General case' 0 N--CA 1.483 1.192 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -175.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.8 19.34 75.71 Favored Glycine 0 CA--C 1.537 1.413 0 O-C-N 121.25 -0.906 . . . . 0.0 114.547 176.362 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.11 3.4 82.6 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 124.806 1.193 . . . . 0.0 115.498 175.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 20.1 mmt85 -78.33 106.94 10.59 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 119.105 1.453 . . . . 0.0 110.53 175.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 85.1 t -56.48 -42.09 74.32 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.292 0 C-N-CA 123.607 0.763 . . . . 0.0 111.556 -177.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 17.0 ptm180 -60.37 -40.09 89.57 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 113.448 0.907 . . . . 0.0 113.448 178.333 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 48.0 mt -73.71 -38.03 50.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 123.285 0.634 . . . . 0.0 110.021 178.704 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -61.75 -52.12 65.52 Favored 'General case' 0 CA--C 1.539 0.538 0 O-C-N 121.478 -0.764 . . . . 0.0 111.486 177.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.9 pt -66.9 -36.02 76.15 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 O-C-N 121.573 -0.704 . . . . 0.0 111.111 178.8 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -60.65 -49.58 76.94 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 119.343 0.974 . . . . 0.0 112.967 173.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt -67.28 -29.66 69.32 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.652 0.781 . . . . 0.0 112.507 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.7 mp -75.27 -38.32 60.49 Favored 'General case' 0 N--CA 1.471 0.613 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 172.01 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 75.7 mt -75.86 -35.91 59.76 Favored 'General case' 0 N--CA 1.471 0.594 0 N-CA-C 113.463 0.912 . . . . 0.0 113.463 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 94.4 p -63.46 -25.44 68.27 Favored 'General case' 0 N--CA 1.477 0.88 0 CA-C-N 119.918 1.236 . . . . 0.0 114.168 -177.138 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -91.36 -4.73 55.45 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.793 1.637 . . . . 0.0 114.161 173.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -121.83 -25.45 5.02 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.876 1.27 . . . . 0.0 114.312 -170.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 9.0 t -53.57 -29.51 37.52 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.52 1.928 . . . . 0.0 113.826 173.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 78.9 p -78.8 -6.33 55.69 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.947 1.699 . . . . 0.0 114.575 175.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 88.5 -6.03 84.04 Favored Glycine 0 CA--C 1.54 1.639 0 C-N-CA 125.28 1.419 . . . . 0.0 113.471 -168.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 67.24 -158.45 50.77 Favored Glycine 0 CA--C 1.536 1.373 0 C-N-CA 124.779 1.181 . . . . 0.0 114.269 177.656 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 88.1 p -145.77 160.25 42.02 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 125.615 1.566 . . . . 0.0 112.184 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.91 -160.66 54.01 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 124.119 0.866 . . . . 0.0 113.741 -176.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.23 156.7 53.44 Favored Glycine 0 CA--C 1.537 1.43 0 C-N-CA 124.372 0.987 . . . . 0.0 113.83 179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 76.4 p -81.62 -13.8 57.51 Favored 'General case' 0 N--CA 1.477 0.875 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 -178.044 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.8 tmtp? -64.48 133.67 52.91 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 125.015 1.326 . . . . 0.0 111.483 179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 91.6 mt -94.36 148.35 22.31 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.964 1.306 . . . . 0.0 112.093 -178.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -70.2 136.87 27.25 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 123.935 0.779 . . . . 0.0 113.138 177.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 162.19 -174.08 38.58 Favored Glycine 0 CA--C 1.536 1.386 0 C-N-CA 124.442 1.02 . . . . 0.0 113.953 -179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 78.2 p -135.76 -6.86 2.16 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 126.728 2.011 . . . . 0.0 114.127 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.1 -120.58 5.35 Favored Glycine 0 CA--C 1.534 1.269 0 C-N-CA 124.518 1.056 . . . . 0.0 113.449 176.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 79.51 169.27 37.75 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 124.767 1.175 . . . . 0.0 113.951 -174.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 91.9 p -82.85 -25.16 32.87 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -172.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 20.8 mtm105 56.56 36.29 27.37 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 126.323 1.849 . . . . 0.0 114.542 173.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -94.21 2.4 55.92 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 125.652 1.581 . . . . 0.0 114.502 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -78.12 36.21 0.23 Allowed 'General case' 0 CA--C 1.553 1.096 0 C-N-CA 125.923 1.689 . . . . 0.0 115.039 -169.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -66.59 142.47 57.47 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 124.763 1.225 . . . . 0.0 111.228 177.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.3 t -86.4 146.38 26.47 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.834 0.854 . . . . 0.0 112.652 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.17 -21.22 24.15 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.972 0 C-N-CA 124.764 1.226 . . . . 0.0 112.733 170.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -78.11 -6.79 55.78 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 124.984 1.313 . . . . 0.0 113.993 176.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -62.85 126.53 37.15 Favored Glycine 0 CA--C 1.537 1.444 0 CA-C-N 118.987 0.812 . . . . 0.0 112.457 176.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -153.01 170.87 19.36 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.695 1.198 . . . . 0.0 112.794 -172.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 69.3 tp -60.96 133.88 56.54 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.929 0.891 . . . . 0.0 111.432 174.601 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 39.9 t80 -133.65 150.34 51.57 Favored 'General case' 0 CA--C 1.541 0.602 0 C-N-CA 125.142 1.377 . . . . 0.0 111.769 174.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -73.71 -41.33 62.74 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -169.652 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 37.0 m -88.36 119.65 28.99 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.579 0.752 . . . . 0.0 111.393 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -65.0 -37.83 88.96 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -171.641 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.7 m -63.44 -38.36 90.83 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-N 119.145 0.884 . . . . 0.0 112.188 175.679 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 48.3 mm-40 -71.36 -39.99 70.92 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 121.672 -0.643 . . . . 0.0 112.304 175.351 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 4.8 tp60 -58.95 -49.35 78.19 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 123.624 0.769 . . . . 0.0 111.355 174.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 16.2 mm -65.69 -45.33 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.534 0 C-N-CA 124.204 1.002 . . . . 0.0 110.377 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 60.8 tp -58.63 -47.94 82.67 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 119.466 1.03 . . . . 0.0 111.871 175.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -59.43 -53.91 52.7 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 118.717 0.689 . . . . 0.0 110.675 179.657 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 43.5 ttt85 -65.66 -34.69 78.79 Favored 'General case' 0 N--CA 1.479 1.013 0 O-C-N 121.141 -0.974 . . . . 0.0 112.701 -179.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 32.8 tp -69.32 -38.33 78.18 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 119.591 1.087 . . . . 0.0 111.807 176.524 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -64.91 -45.34 86.27 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.743 0.817 . . . . 0.0 111.021 176.385 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -68.73 -42.6 77.39 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 118.939 0.791 . . . . 0.0 111.619 177.205 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 31.0 ttt85 -57.41 -47.97 80.35 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.038 0.935 . . . . 0.0 112.574 177.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 91.7 t -90.37 -33.93 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -173.484 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.2 m -128.08 5.87 5.93 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 114.764 1.394 . . . . 0.0 114.764 -169.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -62.17 -22.67 63.21 Favored Glycine 0 CA--C 1.536 1.365 0 O-C-N 120.495 -1.378 . . . . 0.0 114.343 179.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 17.3 p -69.19 -52.64 25.94 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.327 1.051 . . . . 0.0 111.15 169.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.5 m -57.98 -37.61 74.53 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 125.74 1.616 . . . . 0.0 112.082 176.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.78 -12.72 56.3 Favored 'General case' 0 CA--C 1.549 0.91 0 N-CA-C 114.135 1.161 . . . . 0.0 114.135 176.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -114.89 0.68 13.83 Favored 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 126.023 1.729 . . . . 0.0 113.388 179.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 58.6 m -65.65 147.5 53.29 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.184 0.994 . . . . 0.0 112.847 176.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.215 0 C-N-CA 124.925 1.29 . . . . 0.0 112.839 176.521 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 34.9 p . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 111.628 0.233 . . . . 0.0 111.628 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 30.9 m -78.83 156.96 4.87 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 C-N-CA 124.797 1.239 . . . . 0.0 112.767 177.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.2 m -66.7 146.92 53.94 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.404 1.082 . . . . 0.0 112.793 178.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.15 -1.02 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 N-CA-C 114.751 1.389 . . . . 0.0 114.751 -174.383 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 21.9 tp 52.41 53.0 13.05 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.454 1.502 . . . . 0.0 112.369 -176.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . 0.363 0.0 OUTLIER 50.76 23.63 1.46 Allowed 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 128.559 2.743 . . . . 0.0 117.947 175.205 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 92.4 p -69.22 -24.74 64.06 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 114.133 1.16 . . . . 0.0 114.133 176.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.8 p -79.41 160.17 26.77 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 125.58 1.552 . . . . 0.0 113.321 177.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 93.4 t -73.25 131.57 34.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.929 0.891 . . . . 0.0 110.248 175.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 63.8 t-20 -87.51 120.26 28.63 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.731 0.812 . . . . 0.0 110.615 177.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -81.72 -3.85 54.77 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 114.38 1.252 . . . . 0.0 114.38 -178.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 31.1 tpt180 -55.78 -31.52 62.68 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 119.604 1.093 . . . . 0.0 112.27 168.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -61.51 -41.65 97.62 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.353 0.661 . . . . 0.0 111.838 173.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 85.7 t -71.87 -42.83 69.38 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.826 0 C-N-CA 123.708 0.803 . . . . 0.0 111.305 176.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -58.61 -47.18 85.21 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 123.613 0.765 . . . . 0.0 112.107 174.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -65.58 -40.84 93.2 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 123.516 0.727 . . . . 0.0 112.209 175.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.67 -41.07 96.34 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 119.03 0.832 . . . . 0.0 111.907 177.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.3 mt -62.14 -47.59 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.57 0 C-N-CA 123.843 0.857 . . . . 0.0 110.73 173.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -62.21 -40.6 96.63 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 119.412 1.006 . . . . 0.0 112.786 177.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.4 t30 -63.35 -44.33 95.13 Favored 'General case' 0 CA--C 1.538 0.517 0 O-C-N 121.511 -0.743 . . . . 0.0 111.948 175.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 41.1 mt -63.14 -46.02 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.759 0 C-N-CA 123.063 0.545 . . . . 0.0 111.247 174.675 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 37.4 tp -55.56 -45.11 77.34 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.865 1.266 . . . . 0.0 111.743 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -72.03 -44.77 62.85 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.595 0.758 . . . . 0.0 112.902 175.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -59.32 -38.83 81.28 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.033 0.933 . . . . 0.0 112.904 177.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 66.7 p -83.49 -4.69 58.75 Favored 'General case' 0 N--CA 1.472 0.675 0 N-CA-C 114.33 1.233 . . . . 0.0 114.33 177.105 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 55.8 t30 54.18 37.17 26.61 Favored 'General case' 0 CA--C 1.554 1.116 0 C-N-CA 124.439 1.096 . . . . 0.0 112.646 -176.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 84.9 p -113.09 174.57 5.84 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.313 1.045 . . . . 0.0 113.448 -170.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 11.1 t -107.95 153.05 23.63 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.983 0.913 . . . . 0.0 110.193 167.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 52.8 mt-10 -61.89 -28.05 69.23 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.831 -1.168 . . . . 0.0 113.069 -169.671 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -64.34 -38.39 90.86 Favored 'General case' 0 N--CA 1.474 0.759 0 O-C-N 121.442 -0.786 . . . . 0.0 112.347 173.204 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -67.49 -42.45 82.91 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.777 -0.577 . . . . 0.0 110.877 175.411 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -65.07 -41.88 94.67 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 122.802 0.441 . . . . 0.0 111.432 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -62.53 -47.87 81.99 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.456 -0.777 . . . . 0.0 111.973 173.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 41.4 tt0 -61.64 -41.53 97.63 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 122.88 0.472 . . . . 0.0 111.981 179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -64.58 -47.17 79.69 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 122.905 0.482 . . . . 0.0 112.028 174.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 68.5 mmm -63.61 -34.09 77.06 Favored 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 119.05 0.841 . . . . 0.0 112.708 177.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -66.55 -40.9 89.27 Favored 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.152 -0.968 . . . . 0.0 111.472 170.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 13.4 t -69.02 -29.59 67.8 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 113.934 1.087 . . . . 0.0 113.934 178.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 41.9 p -96.49 -2.79 44.51 Favored 'General case' 0 N--CA 1.481 1.108 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 179.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.71 30.8 65.73 Favored Glycine 0 CA--C 1.539 1.538 0 O-C-N 121.417 -0.802 . . . . 0.0 113.737 -177.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 83.61 10.91 80.84 Favored Glycine 0 CA--C 1.532 1.118 0 C-N-CA 124.42 1.01 . . . . 0.0 114.821 -178.086 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 17.4 mmt85 -77.11 90.23 3.64 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 118.972 1.386 . . . . 0.0 109.914 176.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.0 p -56.88 -37.55 54.66 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 C-N-CA 123.636 0.774 . . . . 0.0 112.892 -175.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 21.6 ptt-85 -61.06 -41.45 96.64 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 113.328 0.862 . . . . 0.0 113.328 175.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 45.3 mt -73.58 -37.06 49.13 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 123.164 0.586 . . . . 0.0 109.804 177.643 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.6 -46.27 79.99 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 121.337 -0.852 . . . . 0.0 111.632 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.9 pt -68.59 -36.08 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.783 0 O-C-N 121.619 -0.676 . . . . 0.0 111.411 175.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.01 -45.62 90.22 Favored 'General case' 0 CA--C 1.542 0.67 0 CA-C-N 118.843 0.747 . . . . 0.0 112.424 171.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 68.6 mmtt -64.31 -44.72 90.73 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 121.457 -0.777 . . . . 0.0 112.215 177.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 6.2 mp -61.2 -37.15 81.94 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.402 0.681 . . . . 0.0 112.545 176.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 81.0 mt -73.48 -47.88 37.77 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 118.607 0.64 . . . . 0.0 112.209 175.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 72.2 m -66.36 -21.57 66.24 Favored 'General case' 0 N--CA 1.477 0.92 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 -179.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 17.7 tppt? -65.89 -23.74 66.7 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.495 1.118 . . . . 0.0 113.088 171.759 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -101.65 160.31 14.56 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.763 1.625 . . . . 0.0 112.452 -177.083 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.0 p -85.13 -21.36 29.29 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 -177.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 37.9 m 53.89 32.04 14.42 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 125.809 1.643 . . . . 0.0 114.235 -177.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.53 158.23 53.36 Favored Glycine 0 CA--C 1.537 1.448 0 C-N-CA 124.409 1.004 . . . . 0.0 114.19 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -75.48 172.91 53.54 Favored Glycine 0 CA--C 1.541 1.685 0 C-N-CA 124.511 1.053 . . . . 0.0 114.451 177.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 70.7 m -131.99 148.75 52.53 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.53 1.532 . . . . 0.0 111.997 -179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -64.03 142.79 46.73 Favored Glycine 0 CA--C 1.535 1.328 0 C-N-CA 123.875 0.75 . . . . 0.0 113.122 178.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.32 3.71 71.54 Favored Glycine 0 CA--C 1.54 1.618 0 C-N-CA 124.458 1.028 . . . . 0.0 115.634 -179.074 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 12.0 t -74.81 153.73 38.61 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 118.741 1.27 . . . . 0.0 112.46 177.363 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 11.8 tmtt? -71.14 115.14 9.93 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.688 1.195 . . . . 0.0 109.994 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.7 mt -133.6 144.87 49.54 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 126.014 1.726 . . . . 0.0 110.774 178.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.33 -160.74 42.92 Favored Glycine 0 CA--C 1.538 1.48 0 C-N-CA 123.962 0.792 . . . . 0.0 113.954 -176.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 72.67 12.3 77.86 Favored Glycine 0 CA--C 1.54 1.644 0 N-CA-C 116.135 1.214 . . . . 0.0 116.135 172.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 35.7 m 60.84 168.97 0.09 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 126.879 2.072 . . . . 0.0 115.144 -175.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 166.91 169.51 30.6 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 124.639 1.114 . . . . 0.0 114.017 178.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 71.18 -173.11 43.26 Favored Glycine 0 CA--C 1.54 1.602 0 C-N-CA 124.746 1.165 . . . . 0.0 114.874 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 50.0 m -74.39 153.55 39.19 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.65 1.18 . . . . 0.0 112.904 179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 52.1 tpt85 -70.5 -24.4 62.83 Favored 'General case' 0 N--CA 1.482 1.126 0 N-CA-C 113.931 1.086 . . . . 0.0 113.931 -178.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -130.32 155.66 45.97 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 126.53 1.932 . . . . 0.0 111.294 177.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 38.2 t70 -72.41 141.54 48.68 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.044 0.938 . . . . 0.0 112.091 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 97.2 mt -136.52 151.47 49.46 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.613 1.565 . . . . 0.0 111.967 -178.398 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.7 m -69.02 151.25 46.72 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.585 1.154 . . . . 0.0 113.339 -179.018 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 30.3 m -134.43 163.12 37.72 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.115 0 C-N-CA 125.844 1.658 . . . . 0.0 112.034 178.419 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 64.9 pttt -140.65 161.25 38.2 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.486 1.514 . . . . 0.0 113.064 -179.52 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -72.88 170.66 51.4 Favored Glycine 0 CA--C 1.537 1.462 0 C-N-CA 124.697 1.142 . . . . 0.0 114.165 177.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.27 -9.72 59.64 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.977 1.473 . . . . 0.0 114.977 -176.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -140.14 153.44 46.67 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.634 1.574 . . . . 0.0 112.328 175.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 83.8 t80 -75.38 -35.59 61.06 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 113.513 0.931 . . . . 0.0 113.513 -173.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 38.9 t70 -144.88 145.56 31.65 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 124.634 1.174 . . . . 0.0 112.353 -175.609 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 17.0 t -146.45 157.8 43.81 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 125.689 1.595 . . . . 0.0 111.088 178.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -136.58 126.33 25.59 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 124.585 1.154 . . . . 0.0 112.566 -171.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 13.6 p -55.79 -51.36 67.72 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 125.545 1.538 . . . . 0.0 113.594 -172.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . 0.259 2.8 pp0? -72.34 -29.65 64.01 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 118.769 -0.634 . . . . 0.0 112.648 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -66.14 -48.82 69.55 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 119.857 1.208 . . . . 0.0 111.808 173.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 31.8 mm -61.08 -47.57 92.99 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 CA-C-N 118.371 0.532 . . . . 0.0 110.17 175.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 50.8 tp -60.29 -43.99 95.77 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 118.772 0.714 . . . . 0.0 112.364 178.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.4 m-20 -63.05 -49.64 73.77 Favored 'General case' 0 CA--C 1.534 0.348 0 CA-C-N 119.242 0.928 . . . . 0.0 111.359 178.506 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 26.9 mmt180 -65.46 -35.38 80.74 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 119.558 1.072 . . . . 0.0 112.529 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 40.4 tp -66.18 -39.52 89.77 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.326 0.65 . . . . 0.0 111.96 174.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.6 ttt85 -68.93 -42.4 76.82 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.155 0.582 . . . . 0.0 111.556 176.42 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -61.26 -49.77 75.72 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 118.602 0.637 . . . . 0.0 111.907 176.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -68.4 -36.66 79.43 Favored 'General case' 0 N--CA 1.481 1.099 0 N-CA-C 113.256 0.836 . . . . 0.0 113.256 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 69.0 t -76.59 -51.87 18.45 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.981 0 CA-C-N 118.812 0.733 . . . . 0.0 111.869 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 61.1 m -69.33 -37.94 77.95 Favored 'General case' 0 N--CA 1.472 0.67 0 CA-C-N 119.034 0.834 . . . . 0.0 112.149 -178.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -65.18 -15.75 61.32 Favored Glycine 0 CA--C 1.538 1.471 0 O-C-N 121.201 -0.937 . . . . 0.0 114.706 176.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 69.8 m -85.08 -1.06 56.41 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 124.453 1.101 . . . . 0.0 113.899 173.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 9.4 t -138.07 -33.91 0.68 Allowed 'General case' 0 N--CA 1.484 1.244 0 N-CA-C 114.257 1.206 . . . . 0.0 114.257 179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -64.32 131.03 46.09 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.08 -1.012 . . . . 0.0 111.739 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -80.19 -16.12 55.52 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 113.49 0.922 . . . . 0.0 113.49 -172.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 24.2 m -87.39 -4.51 59.03 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.818 1.247 . . . . 0.0 114.136 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.362 0 C-N-CA 125.36 1.464 . . . . 0.0 112.879 -179.332 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.9 m . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 112.087 0.403 . . . . 0.0 112.087 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.8 m -75.57 157.29 5.87 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 C-N-CA 123.951 0.9 . . . . 0.0 112.49 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -146.54 162.65 37.89 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.255 1.422 . . . . 0.0 111.736 177.471 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.9 mp -76.4 136.27 25.04 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.714 0 C-N-CA 124.904 1.282 . . . . 0.0 109.904 -177.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -142.88 158.78 43.29 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 125.733 1.613 . . . . 0.0 112.277 176.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -76.97 134.73 38.79 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.174 0.99 . . . . 0.0 112.301 -174.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 33.3 m 62.27 162.97 0.09 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 127.215 2.206 . . . . 0.0 115.499 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 82.8 p -151.04 164.83 35.53 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 125.571 1.548 . . . . 0.0 111.941 -179.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 28.0 m -131.93 150.27 33.61 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.068 1.347 . . . . 0.0 112.137 176.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -83.05 157.67 22.78 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 124.611 1.165 . . . . 0.0 111.625 175.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 33.6 p80 -59.31 -28.19 66.56 Favored 'General case' 0 N--CA 1.476 0.835 0 O-C-N 120.791 -1.193 . . . . 0.0 113.314 177.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 82.7 mtt85 -61.45 -35.8 78.6 Favored 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 124.062 0.945 . . . . 0.0 113.049 171.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -74.19 -35.72 63.97 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.179 0.592 . . . . 0.0 111.184 178.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 37.4 t -66.08 -42.02 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 123.234 0.614 . . . . 0.0 110.567 171.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -64.31 -43.66 94.02 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.639 0.776 . . . . 0.0 112.345 175.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -61.78 -41.16 97.36 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.996 0.918 . . . . 0.0 112.201 173.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.54 -43.36 97.32 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-N 118.62 0.645 . . . . 0.0 111.361 175.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 29.4 mt -59.19 -44.72 92.51 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.716 0 C-N-CA 123.619 0.767 . . . . 0.0 111.215 173.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -63.98 -39.07 93.3 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 123.599 0.76 . . . . 0.0 112.193 177.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -64.83 -41.63 95.6 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 123.695 0.798 . . . . 0.0 112.237 174.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.71 -44.47 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 119.071 0.851 . . . . 0.0 110.666 173.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 63.7 tp -56.93 -43.71 81.75 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.131 0.972 . . . . 0.0 111.818 178.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.0 mtt-85 -70.56 -46.89 62.67 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.586 0.755 . . . . 0.0 112.555 174.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 80.5 t80 -61.03 -39.55 90.19 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 124.007 0.923 . . . . 0.0 112.981 -177.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 42.2 p -81.48 -4.15 55.07 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.717 1.006 . . . . 0.0 113.717 176.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 49.3 t30 52.81 55.32 9.16 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.506 1.522 . . . . 0.0 111.928 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 18.7 m -124.82 165.4 18.08 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.993 0.917 . . . . 0.0 112.985 -171.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 21.2 p -89.5 159.32 17.3 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.517 0.727 . . . . 0.0 111.288 169.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -65.61 -30.79 71.56 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 120.717 -1.239 . . . . 0.0 112.33 176.61 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 86.7 mt-30 -68.1 -40.02 82.71 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.351 0.66 . . . . 0.0 111.529 172.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.5 mt-30 -63.11 -39.53 94.95 Favored 'General case' 0 N--CA 1.473 0.714 0 CA-C-N 118.619 0.645 . . . . 0.0 111.723 172.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -68.45 -40.76 80.96 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.4 -0.812 . . . . 0.0 111.612 177.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -59.5 -47.45 85.46 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 121.462 -0.774 . . . . 0.0 111.745 171.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -63.66 -40.2 96.23 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.666 0.617 . . . . 0.0 112.666 178.198 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.3 -42.33 88.48 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 123.452 0.701 . . . . 0.0 111.96 176.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 83.6 mmm -66.5 -39.95 88.96 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.238 -0.914 . . . . 0.0 111.927 175.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -65.72 -38.86 90.32 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.202 0.601 . . . . 0.0 111.784 175.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.4 m -73.87 -23.47 59.6 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 113.799 1.036 . . . . 0.0 113.799 179.474 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 75.7 p -106.2 1.83 26.41 Favored 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 114.029 1.122 . . . . 0.0 114.029 -176.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.55 27.12 71.76 Favored Glycine 0 CA--C 1.534 1.242 0 O-C-N 121.577 -0.702 . . . . 0.0 113.158 -179.028 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 80.57 9.22 86.69 Favored Glycine 0 CA--C 1.528 0.882 0 N-CA-C 115.874 1.109 . . . . 0.0 115.874 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 26.8 mtt85 -74.7 99.7 3.77 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.031 1.915 . . . . 0.0 110.37 174.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 7.7 p -56.61 -34.34 41.99 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 CA-C-O 118.747 -0.644 . . . . 0.0 112.441 -176.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -62.22 -43.55 98.58 Favored 'General case' 0 N--CA 1.484 1.272 0 CA-C-N 119.52 1.055 . . . . 0.0 113.699 175.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.6 mt -75.32 -35.02 32.14 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.046 0 C-N-CA 123.009 0.524 . . . . 0.0 109.773 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.91 -46.97 82.45 Favored 'General case' 0 CA--C 1.537 0.447 0 O-C-N 121.303 -0.873 . . . . 0.0 111.476 175.674 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 21.0 pt -67.99 -35.51 72.13 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 CA-C-N 119.871 1.214 . . . . 0.0 111.797 175.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.24 -44.45 88.31 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 119.586 1.085 . . . . 0.0 112.514 170.229 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -64.97 -44.25 89.98 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.494 1.117 . . . . 0.0 111.711 175.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 64.0 mt -66.85 -32.7 74.14 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.9 0.88 . . . . 0.0 112.904 177.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 71.9 mt -73.08 -38.08 66.54 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 119.348 0.976 . . . . 0.0 111.919 173.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 46.5 m -79.95 -32.97 39.96 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -177.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.0 mttm 49.51 30.22 3.34 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 127.372 2.269 . . . . 0.0 114.237 -177.001 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.6 162.01 13.5 Favored 'General case' 0 CA--C 1.542 0.66 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -168.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 53.8 p -115.79 160.32 20.28 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 126.078 1.751 . . . . 0.0 112.172 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 77.8 p -137.88 161.65 36.07 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.073 1.349 . . . . 0.0 112.878 -176.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 79.91 1.41 87.34 Favored Glycine 0 CA--C 1.539 1.561 0 N-CA-C 115.965 1.146 . . . . 0.0 115.965 177.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -77.6 -15.45 81.34 Favored Glycine 0 CA--C 1.538 1.506 0 CA-C-N 118.72 1.26 . . . . 0.0 115.213 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.4 m -137.43 154.3 49.97 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 125.929 1.692 . . . . 0.0 112.113 179.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -76.71 -172.42 35.69 Favored Glycine 0 CA--C 1.538 1.506 0 C-N-CA 124.594 1.092 . . . . 0.0 113.955 172.288 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 75.06 23.67 73.79 Favored Glycine 0 CA--C 1.538 1.476 0 N-CA-C 114.969 0.748 . . . . 0.0 114.969 177.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 77.2 p -68.0 158.84 31.95 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.906 1.282 . . . . 0.0 113.418 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.8 tmtm? -129.83 141.18 50.87 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 125.987 1.715 . . . . 0.0 111.213 -176.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 93.2 mt -117.53 159.74 22.37 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 125.514 1.526 . . . . 0.0 112.342 -175.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -77.34 45.57 2.36 Favored Glycine 0 CA--C 1.535 1.342 0 C-N-CA 125.842 1.687 . . . . 0.0 114.523 179.67 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 67.3 -138.05 33.85 Favored Glycine 0 CA--C 1.537 1.416 0 CA-C-N 117.927 0.863 . . . . 0.0 112.457 -174.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.7 t -140.4 -172.54 3.45 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.054 1.342 . . . . 0.0 111.048 177.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.34 136.78 21.79 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.022 0.82 . . . . 0.0 111.833 169.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . 74.22 11.19 82.01 Favored Glycine 0 CA--C 1.541 1.675 0 N-CA-C 115.544 0.978 . . . . 0.0 115.544 179.389 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 88.4 p -127.66 162.82 25.63 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 125.621 1.569 . . . . 0.0 112.181 176.45 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 77.6 ttt-85 -75.5 140.14 42.63 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.35 1.06 . . . . 0.0 112.506 -175.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.89 162.09 38.53 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 126.046 1.739 . . . . 0.0 111.907 169.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -76.61 104.14 6.96 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.914 0.885 . . . . 0.0 112.123 -178.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 2.4 pp -152.16 174.91 13.16 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 126.293 1.837 . . . . 0.0 112.0 174.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 23.2 t -118.39 128.75 54.92 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 124.681 1.192 . . . . 0.0 110.61 170.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.8 m -84.02 149.15 4.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.961 0 C-N-CA 123.762 0.825 . . . . 0.0 113.116 -174.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 94.6 mttt 54.94 13.23 0.71 Allowed 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 127.025 2.13 . . . . 0.0 115.983 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -87.26 171.56 42.33 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.992 1.282 . . . . 0.0 114.162 -178.637 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -79.73 37.08 0.34 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 126.229 1.812 . . . . 0.0 114.283 -177.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.9 mp -79.85 -26.59 40.34 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.671 1.188 . . . . 0.0 113.721 -170.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -125.01 6.9 7.95 Favored 'General case' 0 N--CA 1.479 0.975 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -168.634 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -96.65 140.27 31.5 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.399 1.079 . . . . 0.0 112.568 -179.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 89.3 p -160.33 173.65 15.34 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 125.176 1.39 . . . . 0.0 111.777 170.003 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 24.3 m-20 -75.41 37.73 0.14 Allowed 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 125.434 1.494 . . . . 0.0 112.875 173.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 54.5 p -50.39 -53.65 27.65 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 126.886 2.074 . . . . 0.0 114.475 -168.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 42.9 mt-30 -71.07 -41.78 70.24 Favored 'General case' 0 N--CA 1.471 0.587 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -171.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 18.7 tp60 -68.6 -42.21 78.49 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 118.896 0.771 . . . . 0.0 111.766 178.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 29.1 mm -67.21 -44.31 87.76 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 CA-C-O 118.33 -0.843 . . . . 0.0 110.302 176.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 57.9 tp -61.22 -43.7 98.45 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-N 120.112 1.324 . . . . 0.0 111.419 176.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 28.9 t-20 -58.21 -55.92 28.7 Favored 'General case' 0 CA--C 1.535 0.366 0 CA-C-N 118.426 0.557 . . . . 0.0 110.976 176.578 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 24.7 tpt180 -66.82 -36.21 81.83 Favored 'General case' 0 N--CA 1.478 0.949 0 CA-C-N 119.21 0.913 . . . . 0.0 112.221 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -66.4 -49.08 68.0 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.394 0.997 . . . . 0.0 111.625 179.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 28.5 ttt85 -65.19 -37.18 86.51 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.974 0.51 . . . . 0.0 111.381 179.583 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -66.49 -45.11 80.71 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 118.153 0.433 . . . . 0.0 112.125 172.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 5.8 ttt180 -59.91 -42.35 93.7 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 124.249 1.02 . . . . 0.0 112.603 179.423 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 42.6 t -90.04 -37.33 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 N-CA-C 113.127 0.788 . . . . 0.0 113.127 -175.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.0 m -130.31 4.12 4.74 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 115.545 1.683 . . . . 0.0 115.545 -168.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -61.9 -22.02 61.82 Favored Glycine 0 CA--C 1.539 1.564 0 O-C-N 120.225 -1.547 . . . . 0.0 114.858 -176.713 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 62.6 p -83.43 -14.65 52.13 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.698 1.599 . . . . 0.0 114.373 175.044 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 64.4 p -122.16 -25.61 4.86 Favored 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 124.811 1.244 . . . . 0.0 113.929 -174.401 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -65.49 -17.34 64.48 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.713 1.205 . . . . 0.0 113.958 179.718 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -71.38 -24.57 62.1 Favored 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.295 1.038 . . . . 0.0 113.011 174.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.0 m -75.47 150.07 38.33 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.475 1.11 . . . . 0.0 112.976 -177.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.259 0 C-N-CA 126.142 1.777 . . . . 0.0 112.393 178.448 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.4 m -131.79 160.76 42.19 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.268 0 C-N-CA 125.691 1.596 . . . . 0.0 111.875 178.038 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.6 t -141.7 164.97 28.77 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 124.918 1.287 . . . . 0.0 112.092 176.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.535 HD13 ' H ' ' A' ' 4' ' ' ILE . 0.2 OUTLIER -99.62 -9.05 9.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.838 0 C-N-CA 125.874 1.67 . . . . 0.0 113.721 178.785 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -148.57 152.69 37.23 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 125.066 1.346 . . . . 0.0 112.77 176.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 78.8 mtt85 54.39 23.26 4.31 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 126.184 1.794 . . . . 0.0 114.994 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 15.1 m -63.74 -22.43 66.9 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.315 1.446 . . . . 0.0 114.13 -173.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 71.4 p -80.32 -10.46 59.75 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.72 1.608 . . . . 0.0 114.208 174.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 2.7 t 52.6 48.67 0.39 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 C-N-CA 125.853 1.661 . . . . 0.0 111.45 -174.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 64.1 t-20 -63.8 123.72 19.64 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.758 1.223 . . . . 0.0 111.799 -176.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 55.5 p-80 -68.77 -16.62 63.85 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 114.091 1.145 . . . . 0.0 114.091 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.4 tpp180 -58.4 -30.95 67.25 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 119.045 0.839 . . . . 0.0 112.538 176.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 19.6 mm-40 -63.2 -41.95 99.24 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 118.422 0.555 . . . . 0.0 111.469 176.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.4 t -70.09 -43.58 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 124.128 0.971 . . . . 0.0 110.936 176.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.92 -46.27 91.32 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 123.709 0.804 . . . . 0.0 112.343 175.4 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -63.93 -41.91 97.5 Favored 'General case' 0 CA--C 1.533 0.299 0 C-N-CA 124.309 1.044 . . . . 0.0 111.672 176.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.79 -43.33 99.08 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 118.663 0.665 . . . . 0.0 111.845 176.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 64.1 mt -59.47 -48.8 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 C-N-CA 123.303 0.641 . . . . 0.0 110.915 174.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -64.19 -39.59 94.32 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 119.136 0.88 . . . . 0.0 112.844 178.835 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -63.44 -43.14 98.25 Favored 'General case' 0 CA--C 1.54 0.596 0 O-C-N 121.507 -0.746 . . . . 0.0 111.753 175.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 39.7 mt -63.14 -47.09 94.1 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.465 0.706 . . . . 0.0 110.829 173.73 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 48.7 tp -59.78 -39.96 86.66 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.347 1.059 . . . . 0.0 111.799 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 16.5 tpt180 -71.03 -47.4 58.8 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.282 1.033 . . . . 0.0 112.544 173.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 47.4 t80 -60.76 -41.07 94.74 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 124.127 0.971 . . . . 0.0 112.972 -178.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 67.5 p -81.61 -8.91 59.77 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.993 1.108 . . . . 0.0 113.993 176.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . 0.279 0.8 OUTLIER 48.64 32.24 3.41 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 126.18 1.792 . . . . 0.0 113.918 -171.759 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 87.2 p -96.31 -178.34 4.27 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.926 1.29 . . . . 0.0 112.96 -174.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 69.3 p -103.26 151.09 23.08 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.794 0.838 . . . . 0.0 109.632 168.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -62.5 -31.39 72.14 Favored 'General case' 0 CA--C 1.537 0.47 0 O-C-N 121.234 -0.916 . . . . 0.0 112.381 -177.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -67.84 -36.07 79.7 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 121.304 -0.873 . . . . 0.0 113.079 172.513 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.8 mt-30 -69.58 -38.92 77.55 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.076 0.853 . . . . 0.0 111.538 172.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -63.2 -43.03 99.29 Favored 'General case' 0 CA--C 1.542 0.646 0 O-C-N 121.824 -0.548 . . . . 0.0 111.243 173.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -63.02 -45.22 93.35 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 121.118 -0.989 . . . . 0.0 111.843 174.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -62.14 -40.56 96.35 Favored 'General case' 0 N--CA 1.47 0.546 0 C-N-CA 123.153 0.581 . . . . 0.0 112.352 177.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -66.78 -43.29 84.33 Favored 'General case' 0 CA--C 1.536 0.43 0 O-C-N 121.73 -0.606 . . . . 0.0 111.878 174.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 73.4 mmm -62.14 -37.58 85.73 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 119.027 0.83 . . . . 0.0 112.305 174.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -65.0 -39.79 93.97 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.008 -1.058 . . . . 0.0 111.653 171.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 34.5 t -64.4 -31.73 73.06 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.14 0.976 . . . . 0.0 113.565 175.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 44.7 p -99.83 -0.34 39.95 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 114.52 1.304 . . . . 0.0 114.52 -177.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 72.37 29.41 66.19 Favored Glycine 0 CA--C 1.537 1.463 0 O-C-N 121.457 -0.777 . . . . 0.0 113.537 -176.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 87.1 10.96 70.64 Favored Glycine 0 CA--C 1.533 1.174 0 C-N-CA 124.814 1.197 . . . . 0.0 115.163 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 52.8 mmt-85 -81.29 99.39 8.61 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 119.271 1.536 . . . . 0.0 110.54 179.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.5 t -54.34 -45.06 68.44 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 124.535 1.134 . . . . 0.0 111.786 -178.129 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.1 ptm85 -60.06 -40.54 89.84 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 113.454 0.909 . . . . 0.0 113.454 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 33.6 mt -75.71 -36.02 32.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.849 0 C-N-CA 122.93 0.492 . . . . 0.0 109.933 178.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -65.73 -46.7 77.91 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.264 -0.898 . . . . 0.0 111.56 178.135 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 15.7 pt -67.48 -35.41 73.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 118.538 -0.744 . . . . 0.0 111.143 175.17 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.47 -45.36 91.85 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-N 119.354 0.979 . . . . 0.0 112.982 171.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.3 mtpt -68.15 -31.71 71.48 Favored 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.106 0.78 . . . . 0.0 113.106 177.399 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 5.6 mp -68.2 -44.38 75.96 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.412 0.685 . . . . 0.0 111.883 170.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 77.3 mt -68.06 -34.18 75.97 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 112.913 0.708 . . . . 0.0 112.913 179.433 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 66.7 p -84.17 -6.25 59.37 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.289 1.218 . . . . 0.0 114.289 171.061 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . 0.279 22.1 ptmt 42.3 33.92 0.46 Allowed 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 126.547 1.939 . . . . 0.0 114.412 -169.527 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 54.97 40.17 31.9 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 126.901 2.081 . . . . 0.0 114.272 -173.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.0 p -111.42 -7.5 14.36 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 114.606 1.335 . . . . 0.0 114.606 177.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 83.1 p -147.43 155.33 41.83 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.056 1.342 . . . . 0.0 112.396 176.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 154.15 -174.37 32.61 Favored Glycine 0 CA--C 1.537 1.468 0 C-N-CA 124.995 1.284 . . . . 0.0 113.448 -178.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.05 18.34 80.18 Favored Glycine 0 CA--C 1.538 1.524 0 N-CA-C 115.647 1.019 . . . . 0.0 115.647 174.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 18.6 m -67.42 -24.75 65.68 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 114.31 1.226 . . . . 0.0 114.31 -174.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 70.28 -171.47 43.15 Favored Glycine 0 CA--C 1.539 1.564 0 C-N-CA 124.899 1.238 . . . . 0.0 114.619 179.491 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 174.54 169.2 36.29 Favored Glycine 0 CA--C 1.535 1.306 0 C-N-CA 124.828 1.204 . . . . 0.0 113.673 178.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 67.1 p -84.4 -20.91 31.11 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.748 1.219 . . . . 0.0 114.127 -178.594 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -70.58 137.89 50.41 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.917 1.287 . . . . 0.0 111.805 179.356 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 98.2 mt -139.66 154.98 47.64 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.505 1.522 . . . . 0.0 110.703 169.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -72.59 157.85 52.87 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 124.199 0.904 . . . . 0.0 113.848 175.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -77.8 154.39 41.53 Favored Glycine 0 CA--C 1.538 1.488 0 C-N-CA 124.65 1.119 . . . . 0.0 114.169 178.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 82.2 p -138.13 4.89 2.51 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 -170.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.54 166.02 38.69 Favored Glycine 0 CA--C 1.536 1.377 0 C-N-CA 124.08 0.848 . . . . 0.0 114.08 -179.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -66.45 -8.25 44.44 Favored Glycine 0 CA--C 1.539 1.586 0 N-CA-C 116.404 1.322 . . . . 0.0 116.404 -170.049 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 61.7 p -71.06 -12.71 61.67 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.966 1.307 . . . . 0.0 113.811 171.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -127.55 147.94 50.34 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 126.711 2.004 . . . . 0.0 111.105 177.587 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.4 ttpt -84.41 39.03 0.7 Allowed 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.17 1.388 . . . . 0.0 112.858 -178.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -152.74 139.82 19.27 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.653 1.581 . . . . 0.0 111.097 179.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 88.4 mt -142.78 148.88 37.9 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.691 1.596 . . . . 0.0 110.622 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 62.8 p -59.94 -29.8 68.64 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.273 1.029 . . . . 0.0 113.759 177.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.7 m -89.65 0.54 8.06 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.122 0 C-N-CA 125.566 1.546 . . . . 0.0 114.149 175.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 28.9 mtpp 49.72 30.75 3.89 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 126.893 2.077 . . . . 0.0 115.532 174.068 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 59.75 25.43 61.32 Favored Glycine 0 CA--C 1.542 1.73 0 O-C-N 121.026 -1.046 . . . . 0.0 114.177 -174.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 21.1 ttp 60.35 21.12 10.67 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 126.667 1.987 . . . . 0.0 114.614 -171.342 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 62.3 tp -104.7 124.42 49.35 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.331 1.453 . . . . 0.0 110.638 174.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -134.38 149.94 50.85 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.843 1.257 . . . . 0.0 111.755 -177.252 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -143.58 54.99 1.33 Allowed 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.784 1.234 . . . . 0.0 111.534 -174.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 27.0 t -144.33 150.82 38.43 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.997 1.319 . . . . 0.0 112.208 -179.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 33.1 m-20 -99.54 10.99 40.37 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 125.533 1.533 . . . . 0.0 112.876 177.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 35.4 p -45.76 -47.03 15.54 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 126.513 1.925 . . . . 0.0 114.377 -171.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 43.0 mt-30 -70.16 -36.98 75.09 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 123.342 0.657 . . . . 0.0 112.566 -179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -77.27 -34.75 55.62 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.464 -0.773 . . . . 0.0 111.943 178.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 14.6 mm -59.39 -48.19 87.99 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.829 0 C-N-CA 123.747 0.819 . . . . 0.0 109.47 169.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 47.4 tp -60.98 -45.27 95.46 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 118.579 0.627 . . . . 0.0 112.05 174.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 58.5 t30 -58.55 -50.42 73.84 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 119.032 0.833 . . . . 0.0 112.101 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 51.0 ttm-85 -71.87 -32.07 67.1 Favored 'General case' 0 N--CA 1.478 0.951 0 O-C-N 121.299 -0.876 . . . . 0.0 112.868 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 55.5 tp -66.66 -38.93 87.87 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 118.508 0.594 . . . . 0.0 111.534 171.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 31.0 ttp85 -68.45 -39.3 81.54 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.267 1.027 . . . . 0.0 111.371 176.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -61.06 -50.79 71.88 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-N 119.277 0.944 . . . . 0.0 111.142 171.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -63.1 -37.29 86.61 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 113.555 0.946 . . . . 0.0 113.555 -178.521 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 70.0 t -88.4 -44.83 15.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 C-N-CA 123.608 0.763 . . . . 0.0 112.895 -177.291 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 16.0 m -107.8 -11.9 15.3 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.7 1.37 . . . . 0.0 114.7 -169.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . -68.86 149.02 48.91 Favored Glycine 0 CA--C 1.536 1.404 0 CA-C-N 119.6 1.091 . . . . 0.0 113.57 176.828 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 77.6 p -83.9 156.99 22.12 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.769 1.228 . . . . 0.0 112.938 179.637 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 44.9 p -99.24 -7.02 27.04 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.136 1.375 . . . . 0.0 114.44 -177.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -72.74 153.14 41.28 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 124.361 1.064 . . . . 0.0 113.342 -178.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -150.64 169.27 21.98 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.456 1.502 . . . . 0.0 112.505 177.181 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 13.6 m 56.68 32.0 20.31 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 115.323 1.601 . . . . 0.0 115.323 168.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.372 0 C-N-CA 126.384 1.874 . . . . 0.0 111.944 -179.369 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.9 m . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.5 m -132.34 156.8 42.78 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 125.662 1.585 . . . . 0.0 111.888 177.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.6 t -70.94 148.27 47.88 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.481 0.712 . . . . 0.0 111.963 174.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 1.1 pp -141.0 161.22 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.705 0 C-N-CA 126.722 2.009 . . . . 0.0 112.243 -173.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 88.5 mt -77.75 153.37 33.0 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.133 0.973 . . . . 0.0 112.069 176.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 84.2 mtp180 -79.87 155.75 27.65 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.614 1.166 . . . . 0.0 112.249 177.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 9.1 t -146.11 162.14 38.6 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 125.372 1.469 . . . . 0.0 111.676 176.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 57.2 m -66.0 123.58 20.22 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.626 1.17 . . . . 0.0 111.747 -177.306 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 59.8 t -64.55 -37.46 80.12 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 123.359 0.664 . . . . 0.0 111.687 -172.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 7.5 t30 -53.95 -46.1 71.48 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.172 0.989 . . . . 0.0 112.008 174.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -78.32 -41.89 32.31 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 124.42 1.088 . . . . 0.0 111.202 -177.54 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.0 tpt180 -62.45 -34.88 77.67 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 118.533 -0.746 . . . . 0.0 112.572 176.508 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.5 tt0 -61.65 -42.27 98.66 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 119.855 1.207 . . . . 0.0 111.957 177.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 39.2 t -71.53 -41.17 72.34 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 O-C-N 121.579 -0.7 . . . . 0.0 111.251 176.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 26.5 t70 -61.46 -43.37 98.98 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 124.165 0.986 . . . . 0.0 112.765 174.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -65.97 -40.19 91.04 Favored 'General case' 0 N--CA 1.465 0.288 0 C-N-CA 124.244 1.018 . . . . 0.0 112.078 173.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.65 -38.7 91.9 Favored 'General case' 0 CA--C 1.544 0.739 0 O-C-N 121.798 -0.564 . . . . 0.0 111.452 176.388 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.0 mt -59.06 -49.06 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 123.71 0.804 . . . . 0.0 110.852 170.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -62.64 -39.42 93.78 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.502 1.046 . . . . 0.0 112.699 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -64.52 -44.92 89.35 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 123.697 0.799 . . . . 0.0 112.259 175.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 51.4 mt -60.63 -48.34 89.06 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 C-N-CA 123.014 0.525 . . . . 0.0 110.125 173.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 53.2 tp -61.83 -37.0 82.81 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.239 1.015 . . . . 0.0 112.533 -177.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -66.0 -43.15 88.57 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 123.809 0.844 . . . . 0.0 111.961 170.41 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 23.7 t80 -68.37 -39.94 81.6 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 61.6 p -74.8 -18.78 60.41 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 121.013 -1.054 . . . . 0.0 113.622 177.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 53.18 26.79 5.31 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 124.962 1.305 . . . . 0.0 113.922 -172.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 88.6 p -98.68 178.76 4.89 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.934 1.293 . . . . 0.0 111.947 179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 34.1 p -87.65 160.99 17.93 Favored 'General case' 0 N--CA 1.473 0.68 0 O-C-N 121.505 -0.747 . . . . 0.0 110.482 168.058 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -65.88 -34.32 77.85 Favored 'General case' 0 CA--C 1.538 0.509 0 O-C-N 121.052 -1.03 . . . . 0.0 111.902 176.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 19.7 pt20 -68.51 -35.87 78.09 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.36 -0.837 . . . . 0.0 112.747 172.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -64.93 -39.17 93.1 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 119.132 0.878 . . . . 0.0 111.46 170.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -66.28 -43.44 86.4 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.714 -0.616 . . . . 0.0 111.689 175.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -61.37 -45.05 96.02 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 118.852 0.751 . . . . 0.0 111.562 174.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -61.24 -41.5 97.0 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 123.331 0.653 . . . . 0.0 112.245 175.059 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.58 -43.51 96.76 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 123.213 0.605 . . . . 0.0 112.116 176.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 60.1 mtp -64.4 -42.6 96.0 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 119.627 1.103 . . . . 0.0 111.924 173.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -64.5 -41.19 96.58 Favored 'General case' 0 CA--C 1.545 0.783 0 CA-C-N 119.187 0.903 . . . . 0.0 112.701 179.255 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 68.4 m -75.79 -23.46 55.88 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 114.265 1.209 . . . . 0.0 114.265 177.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 74.1 p -96.61 2.64 52.45 Favored 'General case' 0 N--CA 1.487 1.401 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 178.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 85.92 19.99 56.57 Favored Glycine 0 N--CA 1.476 1.321 0 O-C-N 121.5 -0.75 . . . . 0.0 114.235 174.396 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 90.62 -1.38 78.68 Favored Glycine 0 CA--C 1.529 0.965 0 C-N-CA 124.639 1.114 . . . . 0.0 115.622 175.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 48.0 mtm180 -76.36 115.29 15.96 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.577 1.689 . . . . 0.0 111.434 178.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.49 -37.72 75.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 O-C-N 121.778 -0.576 . . . . 0.0 111.909 179.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -62.09 -42.96 99.74 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 113.554 0.946 . . . . 0.0 113.554 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 27.7 mm -75.2 -35.44 34.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 122.857 0.463 . . . . 0.0 109.972 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -64.32 -48.91 73.8 Favored 'General case' 0 CA--C 1.535 0.4 0 O-C-N 121.705 -0.622 . . . . 0.0 111.891 176.568 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 16.9 pt -67.03 -37.22 78.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.801 0 O-C-N 121.43 -0.794 . . . . 0.0 111.197 176.496 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -58.2 -46.25 86.16 Favored 'General case' 0 CA--C 1.542 0.667 0 CA-C-N 119.303 0.956 . . . . 0.0 112.355 172.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.3 mmtt -65.83 -38.29 88.51 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 121.187 -0.945 . . . . 0.0 112.81 177.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 68.4 mt -68.83 -34.56 75.7 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 112.751 0.649 . . . . 0.0 112.751 176.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.2 mt -82.18 -38.8 24.09 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -179.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.1 p -110.17 -20.32 12.72 Favored 'General case' 0 N--CA 1.481 1.083 0 N-CA-C 115.962 1.838 . . . . 0.0 115.962 -171.663 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . 0.268 22.1 ptmt 42.13 34.65 0.49 Allowed 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 126.674 1.989 . . . . 0.0 114.912 -171.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -70.49 148.35 48.36 Favored 'General case' 0 CA--C 1.541 0.621 0 C-N-CA 124.292 1.037 . . . . 0.0 113.298 -175.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 6.8 t -76.06 -23.63 55.07 Favored 'General case' 0 N--CA 1.483 1.195 0 N-CA-C 113.799 1.037 . . . . 0.0 113.799 -175.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 21.4 m -62.84 149.28 44.7 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 125.133 1.373 . . . . 0.0 113.89 -175.145 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -92.4 155.96 23.08 Favored Glycine 0 CA--C 1.539 1.54 0 C-N-CA 124.808 1.194 . . . . 0.0 114.195 177.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . -80.13 160.7 44.65 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.165 0.888 . . . . 0.0 113.752 173.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 42.0 m 50.75 40.66 24.93 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 126.03 1.732 . . . . 0.0 114.938 175.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -74.8 -11.84 83.22 Favored Glycine 0 CA--C 1.54 1.615 0 N-CA-C 116.1 1.2 . . . . 0.0 116.1 -174.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . -70.85 156.3 53.2 Favored Glycine 0 CA--C 1.539 1.588 0 CA-C-N 118.8 1.3 . . . . 0.0 114.507 -179.268 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 9.5 t -150.41 160.41 43.77 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.254 1.422 . . . . 0.0 111.992 177.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -71.08 139.34 50.34 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.926 1.29 . . . . 0.0 111.866 -178.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 96.2 mt -130.55 159.78 36.12 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 126.1 1.76 . . . . 0.0 111.458 177.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -71.09 151.63 49.07 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 123.977 0.799 . . . . 0.0 113.586 175.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 168.94 -176.96 42.96 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 124.556 1.074 . . . . 0.0 113.781 -179.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.2 m -67.76 150.7 48.32 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.57 1.148 . . . . 0.0 112.812 178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -69.06 156.62 53.58 Favored Glycine 0 CA--C 1.538 1.503 0 C-N-CA 124.002 0.81 . . . . 0.0 113.83 176.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -157.05 26.1 0.49 Allowed Glycine 0 CA--C 1.537 1.42 0 C-N-CA 124.379 0.99 . . . . 0.0 114.928 -176.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 32.1 m -66.24 149.5 50.25 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.768 1.227 . . . . 0.0 113.115 -175.533 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -130.11 157.41 42.48 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.9 1.68 . . . . 0.0 111.721 179.334 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.4 pttt -83.49 -14.86 51.45 Favored 'General case' 0 N--CA 1.483 1.19 0 N-CA-C 115.18 1.548 . . . . 0.0 115.18 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -81.46 65.72 6.71 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.023 1.329 . . . . 0.0 112.421 -176.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 84.0 mt -101.34 3.55 40.73 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 125.475 1.51 . . . . 0.0 114.06 -173.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 82.4 p -70.31 147.39 49.72 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.314 1.045 . . . . 0.0 113.297 -178.439 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 60.2 t -78.99 133.46 29.95 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.846 0 C-N-CA 124.093 0.957 . . . . 0.0 110.062 174.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 61.6 mttp -125.9 154.03 43.34 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.604 1.562 . . . . 0.0 111.893 -174.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 65.84 -152.02 51.82 Favored Glycine 0 CA--C 1.537 1.413 0 C-N-CA 124.111 0.862 . . . . 0.0 113.566 -176.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 65.1 mtt -130.84 149.23 52.57 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.441 1.496 . . . . 0.0 111.56 176.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 50.3 tp -75.79 138.85 41.46 Favored 'General case' 0 CA--C 1.543 0.696 0 C-N-CA 124.109 0.964 . . . . 0.0 111.869 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 41.7 t80 -146.01 162.19 38.42 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.357 1.463 . . . . 0.0 111.419 173.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 38.8 t0 -69.27 155.5 40.31 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.972 0.909 . . . . 0.0 113.419 -178.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 40.4 t -80.36 143.15 33.77 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 125.018 1.327 . . . . 0.0 112.049 177.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 22.6 m-20 -58.04 -33.11 68.64 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.709 0.804 . . . . 0.0 111.966 172.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 5.9 m -58.5 -42.9 88.69 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.26 0.624 . . . . 0.0 112.409 176.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -71.2 -37.18 72.11 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 118.562 0.619 . . . . 0.0 112.277 178.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 99.6 mm-40 -66.35 -47.59 72.95 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-N 118.636 0.653 . . . . 0.0 111.865 175.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 18.5 mm -60.02 -45.65 95.19 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.636 0 C-N-CA 123.716 0.806 . . . . 0.0 110.296 174.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.3 tp -60.24 -46.41 89.89 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 119.529 1.058 . . . . 0.0 112.182 176.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 25.0 t-20 -59.89 -52.59 64.76 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 118.875 0.761 . . . . 0.0 111.216 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 5.8 mmp_? -67.55 -34.6 77.41 Favored 'General case' 0 N--CA 1.476 0.825 0 CA-C-O 118.715 -0.659 . . . . 0.0 112.685 179.153 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 57.9 tp -68.9 -42.52 76.77 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 119.657 1.117 . . . . 0.0 111.413 176.368 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 33.6 ttt85 -65.65 -43.01 90.75 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 118.284 -0.865 . . . . 0.0 110.903 179.252 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 29.7 mm-40 -65.76 -45.0 84.18 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 176.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 57.8 mtp85 -57.03 -42.74 81.02 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.657 0.783 . . . . 0.0 112.491 174.467 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 75.4 t -82.28 -36.73 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 123.749 0.82 . . . . 0.0 112.279 -175.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 77.7 p -73.18 -42.13 63.08 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 119.24 0.927 . . . . 0.0 111.906 178.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 65.62 -177.29 13.39 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 124.928 1.251 . . . . 0.0 115.286 177.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 28.7 m -67.49 -25.34 65.82 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 121.506 -0.997 . . . . 0.0 113.581 -177.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 35.4 p -71.26 -12.43 61.45 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 124.855 1.262 . . . . 0.0 114.061 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -75.41 -12.82 60.33 Favored 'General case' 0 CA--C 1.55 0.958 0 N-CA-C 113.876 1.065 . . . . 0.0 113.876 172.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 22.9 tt0 -71.02 144.86 50.28 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.036 0.934 . . . . 0.0 111.644 177.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 19.8 m -72.74 -11.45 60.62 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 114.828 1.418 . . . . 0.0 114.828 -174.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.378 0 C-N-CA 126.705 2.002 . . . . 0.0 111.738 179.235 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 24.4 m . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.9 m -117.56 8.08 7.04 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 N-CA-C 114.447 1.277 . . . . 0.0 114.447 -175.231 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.6 m -62.58 138.58 58.52 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 124.509 1.123 . . . . 0.0 112.768 -176.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -75.81 -17.88 15.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 -176.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 93.3 mt -139.62 152.11 46.53 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.478 1.911 . . . . 0.0 110.062 173.56 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 96.3 mtm-85 -65.82 -24.55 66.92 Favored 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 123.493 0.717 . . . . 0.0 112.827 173.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 60.8 p -81.89 1.7 33.88 Favored 'General case' 0 CA--C 1.542 0.673 0 C-N-CA 126.492 1.917 . . . . 0.0 114.29 171.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.5 t 65.49 -39.35 0.28 Allowed 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 128.487 2.715 . . . . 0.0 116.6 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 91.3 t -132.69 139.59 49.42 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 C-N-CA 125.866 1.666 . . . . 0.0 110.416 -175.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -89.65 152.06 21.56 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.767 1.227 . . . . 0.0 111.543 176.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' HIS . . . . . . . . . . . . . 30.7 p80 -64.62 -26.33 68.35 Favored 'General case' 0 N--CA 1.477 0.905 0 O-C-N 120.077 -1.639 . . . . 0.0 112.804 176.402 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -64.43 -25.63 68.1 Favored 'General case' 0 N--CA 1.477 0.905 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 170.05 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -73.39 -34.21 65.41 Favored 'General case' 0 N--CA 1.474 0.737 0 CA-C-N 119.066 0.848 . . . . 0.0 111.502 172.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 40.1 t -66.11 -40.63 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 123.327 0.651 . . . . 0.0 110.737 170.294 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.1 t70 -66.32 -40.89 90.22 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 121.179 -0.95 . . . . 0.0 113.361 173.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.0 tp10 -60.89 -38.88 87.2 Favored 'General case' 0 CA--C 1.535 0.396 0 O-C-N 121.379 -0.826 . . . . 0.0 111.644 170.492 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.59 -39.79 94.37 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-N 119.173 0.897 . . . . 0.0 111.356 175.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.3 mt -56.81 -47.62 82.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 CA-C-N 118.485 0.584 . . . . 0.0 111.113 169.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -65.87 -36.06 82.38 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 119.692 1.133 . . . . 0.0 113.579 176.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 49.9 t30 -63.68 -44.43 93.76 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.312 -0.867 . . . . 0.0 111.043 175.016 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ILE . . . . . . . . . . . . . 48.6 mt -62.58 -44.79 99.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 C-N-CA 123.261 0.624 . . . . 0.0 111.033 172.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.1 tp -58.35 -42.17 86.29 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.802 0.841 . . . . 0.0 111.903 178.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 51.2 tpt85 -73.31 -38.06 65.98 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.043 0.937 . . . . 0.0 113.209 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -68.94 -39.96 79.27 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.858 0.863 . . . . 0.0 112.426 179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 68.4 p -76.37 -14.88 60.06 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 113.366 0.876 . . . . 0.0 113.366 172.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 51.3 t30 51.02 40.38 25.36 Favored 'General case' 0 CA--C 1.547 0.865 0 C-N-CA 125.805 1.642 . . . . 0.0 112.723 -176.066 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 5.7 t -121.7 -174.64 2.91 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 124.225 1.01 . . . . 0.0 112.94 -171.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 10.1 t -99.23 150.86 21.65 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.739 1.216 . . . . 0.0 111.975 176.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -61.79 -33.14 73.58 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.244 1.018 . . . . 0.0 111.974 -173.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -63.58 -41.36 98.37 Favored 'General case' 0 N--CA 1.469 0.489 0 C-N-CA 123.27 0.628 . . . . 0.0 111.593 175.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.4 tp-100 -70.8 -37.11 73.25 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.365 0.666 . . . . 0.0 111.733 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -63.24 -44.53 94.96 Favored 'General case' 0 N--CA 1.471 0.607 0 O-C-N 121.714 -0.616 . . . . 0.0 111.585 170.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.6 -45.11 95.48 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 118.874 0.761 . . . . 0.0 111.896 175.078 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -64.46 -37.46 87.6 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 178.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -68.54 -37.03 79.61 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 121.528 -0.733 . . . . 0.0 112.192 173.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 75.6 mmm -66.5 -43.11 86.21 Favored 'General case' 0 CA--C 1.538 0.496 0 O-C-N 121.175 -0.953 . . . . 0.0 111.748 173.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -66.01 -37.14 85.16 Favored 'General case' 0 CA--C 1.544 0.732 0 CA-C-N 119.613 1.097 . . . . 0.0 112.118 174.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' SER . . . . . . . . . . . . . 48.0 t -63.63 -29.63 70.85 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.628 1.171 . . . . 0.0 113.3 174.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 72.6 p -105.24 -0.35 26.46 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 114.13 1.159 . . . . 0.0 114.13 -175.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.17 27.99 67.19 Favored Glycine 0 CA--C 1.536 1.401 0 O-C-N 121.515 -0.741 . . . . 0.0 113.745 -178.32 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 84.18 17.05 65.66 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 124.348 0.975 . . . . 0.0 114.865 -179.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 25.9 mmt180 -83.17 94.44 7.86 Favored 'General case' 0 N--CA 1.478 0.967 0 CA-C-N 119.271 1.535 . . . . 0.0 109.727 177.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 88.0 t -51.25 -44.57 30.61 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.216 0 C-N-CA 124.22 1.008 . . . . 0.0 111.614 -176.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.0 ptm180 -59.95 -41.99 93.09 Favored 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 179.115 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 34.4 mt -75.3 -37.3 38.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 123.243 0.617 . . . . 0.0 109.71 179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -63.48 -48.68 76.65 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.132 -0.98 . . . . 0.0 111.394 177.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 13.2 pt -68.44 -34.61 66.62 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 O-C-N 121.392 -0.817 . . . . 0.0 111.276 177.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ALA . . . . . . . . . . . . . . . -59.88 -42.91 94.79 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 119.228 0.922 . . . . 0.0 112.604 170.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.2 mtpt -65.65 -41.19 92.87 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 121.39 -0.819 . . . . 0.0 112.292 175.376 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -60.85 -45.53 94.14 Favored 'General case' 0 N--CA 1.479 0.99 0 CA-C-N 119.385 0.993 . . . . 0.0 112.115 173.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 83.5 mt -69.21 -28.8 66.68 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 112.501 0.556 . . . . 0.0 112.501 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.0 m -75.07 -37.05 61.73 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.597 0.759 . . . . 0.0 112.725 171.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -72.85 -37.45 67.41 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 124.939 1.296 . . . . 0.0 112.856 -179.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 55.13 -167.28 0.09 Allowed 'General case' 0 CA--C 1.551 1.003 0 C-N-CA 126.077 1.751 . . . . 0.0 112.931 -173.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 14.8 t -142.02 149.18 39.66 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.741 1.216 . . . . 0.0 112.124 176.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 10.7 t -156.99 161.56 39.58 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 125.745 1.618 . . . . 0.0 111.324 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . 69.8 -140.51 33.22 Favored Glycine 0 CA--C 1.538 1.477 0 C-N-CA 124.407 1.003 . . . . 0.0 113.613 179.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 81.98 13.69 78.85 Favored Glycine 0 CA--C 1.538 1.531 0 C-N-CA 124.184 0.897 . . . . 0.0 115.204 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.4 m -65.72 154.68 38.29 Favored 'General case' 0 N--CA 1.474 0.73 0 C-N-CA 125.257 1.423 . . . . 0.0 113.03 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 73.03 -150.38 44.11 Favored Glycine 0 CA--C 1.538 1.511 0 C-N-CA 124.023 0.82 . . . . 0.0 113.636 -179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 71.75 -149.01 44.21 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 124.241 0.924 . . . . 0.0 113.677 -177.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.8 t -142.37 157.3 44.94 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.301 1.441 . . . . 0.0 112.157 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . 0.253 0.5 OUTLIER -127.65 28.28 5.66 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.993 1.717 . . . . 0.0 114.076 179.696 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 69.9 mt -113.79 164.48 13.68 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 126.037 1.735 . . . . 0.0 112.513 -173.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.41 -165.81 53.17 Favored Glycine 0 CA--C 1.538 1.5 0 C-N-CA 124.442 1.02 . . . . 0.0 114.258 -178.851 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -175.46 -166.55 33.25 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 125.011 1.291 . . . . 0.0 113.537 -177.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.1 t -144.85 144.99 31.41 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.905 1.282 . . . . 0.0 112.585 179.82 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -80.62 -3.2 90.2 Favored Glycine 0 CA--C 1.54 1.632 0 C-N-CA 125.01 1.29 . . . . 0.0 114.497 172.253 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLY . . . . . . . . . . . . . . . -76.73 14.33 7.35 Favored Glycine 0 CA--C 1.538 1.521 0 C-N-CA 125.757 1.646 . . . . 0.0 116.455 -175.41 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.2 t -70.44 148.31 48.47 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.329 1.564 . . . . 0.0 112.73 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -80.02 162.02 25.1 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.454 1.502 . . . . 0.0 112.514 -179.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.9 mmmt -72.33 160.15 32.84 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.258 1.023 . . . . 0.0 110.369 168.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -79.26 66.3 4.68 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.491 1.117 . . . . 0.0 111.253 179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 4.7 pp -77.36 154.75 32.46 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 116.044 1.868 . . . . 0.0 116.044 -168.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 75.0 m -82.77 156.53 23.65 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.237 1.415 . . . . 0.0 112.079 172.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 34.4 m -99.34 0.04 10.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 N-CA-C 115.45 1.648 . . . . 0.0 115.45 -171.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 95.3 mttt 63.08 150.66 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 128.61 2.764 . . . . 0.0 116.088 -178.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 67.05 -173.18 28.48 Favored Glycine 0 CA--C 1.537 1.409 0 C-N-CA 125.442 1.496 . . . . 0.0 114.311 -176.131 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 60.1 ttm -65.45 138.97 58.46 Favored 'General case' 0 N--CA 1.472 0.644 0 O-C-N 121.968 -0.725 . . . . 0.0 109.062 169.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.42 HD23 ' H ' ' A' ' 80' ' ' LEU . 2.3 pt? -129.59 152.93 48.57 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 -169.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' TYR . . . . . . . . . . . . . 65.4 t80 -147.11 157.51 43.63 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 125.22 1.408 . . . . 0.0 112.176 -177.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -59.08 -37.67 77.63 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 125.133 1.373 . . . . 0.0 114.016 -173.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.0 m -103.65 11.94 35.45 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 124.961 1.304 . . . . 0.0 114.305 -174.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -67.04 118.7 10.85 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 121.209 -0.932 . . . . 0.0 113.49 -170.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 21.3 p -58.51 -52.52 65.31 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 124.401 1.08 . . . . 0.0 113.71 -173.082 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 23.4 pt20 -71.04 -34.48 71.3 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 112.983 0.735 . . . . 0.0 112.983 -177.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 87.5 mt-30 -75.47 -38.74 59.42 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 120.856 -1.152 . . . . 0.0 112.472 177.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.9 mm -60.31 -46.23 95.24 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-N 118.495 0.589 . . . . 0.0 109.451 169.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LEU . . . . . . . . . . . . . 61.0 tp -59.69 -50.61 73.19 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-N 118.954 0.797 . . . . 0.0 112.499 175.021 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -61.68 -47.5 85.04 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 119.493 1.042 . . . . 0.0 111.5 -176.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 13.2 ttt-85 -68.99 -34.16 74.84 Favored 'General case' 0 N--CA 1.476 0.87 0 CA-C-O 118.387 -0.816 . . . . 0.0 112.18 178.194 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 54.4 tp -67.16 -40.79 86.71 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 119.407 1.003 . . . . 0.0 111.847 173.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 36.8 ttt-85 -69.7 -40.68 76.18 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.776 0.83 . . . . 0.0 110.96 -177.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -62.35 -53.14 59.4 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 122.961 0.504 . . . . 0.0 111.917 170.123 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ARG . . . . . . . . . . . . . 44.3 ttt180 -59.68 -32.97 70.98 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.878 1.271 . . . . 0.0 113.006 -177.116 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 79.8 t -85.62 -38.49 12.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 124.149 0.979 . . . . 0.0 113.145 175.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.3 m -71.38 -32.72 68.79 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.19 0.904 . . . . 0.0 112.786 -178.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 76.39 175.96 41.14 Favored Glycine 0 CA--C 1.539 1.545 0 C-N-CA 124.323 0.963 . . . . 0.0 114.65 178.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' SER . . . . . . . . . . . . . 70.6 m -82.96 157.6 22.91 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 125.584 1.553 . . . . 0.0 112.467 174.459 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.9 t -145.51 153.24 40.9 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.508 1.123 . . . . 0.0 111.941 174.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -100.85 3.19 41.73 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 125.525 1.53 . . . . 0.0 113.826 178.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -139.41 168.61 19.45 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.057 1.343 . . . . 0.0 113.587 -175.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.3 m -70.78 154.15 42.11 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.139 0.976 . . . . 0.0 111.624 169.065 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.362 0 C-N-CA 125.905 1.682 . . . . 0.0 112.248 179.35 . . . . . . . . 0 0 . 1 stop_ save_