data_6d3t_residue ############################ # Computer software used # ############################ 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 6d3t _Structure_validation_residue.Date_analyzed 2019-07-12 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 ' 3' ' ' CYS . . . . . . . . . . . . . 28.3 p . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 41.0 64.23 1.03 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.431 2.692 . . . . 0.0 114.034 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 66.5 tp -59.17 -37.64 77.86 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.02 0.928 . . . . 0.0 113.202 -174.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -71.6 -21.27 61.87 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.999 -1.063 . . . . 0.0 113.172 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -83.28 -28.81 28.87 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.016 1.326 . . . . 0.0 111.92 169.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.9 t -67.31 -45.5 76.3 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.029 1.331 . . . . 0.0 111.687 176.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -53.07 -37.49 61.69 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.884 0.873 . . . . 0.0 113.182 177.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.22 -48.12 79.64 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.375 1.47 . . . . 0.0 111.322 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.1 t -67.69 -35.26 78.48 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 126.385 1.874 . . . . 0.0 111.473 -173.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.3 m -75.86 -32.63 59.82 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.962 0.905 . . . . 0.0 112.529 171.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -63.79 -23.96 67.57 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 120.992 -1.068 . . . . 0.0 113.362 174.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.0 m -64.65 -33.27 75.54 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.921 0.888 . . . . 0.0 113.35 169.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.6 mt -75.19 -40.09 59.62 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.508 0.723 . . . . 0.0 110.766 169.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.83 20.05 4.67 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 126.147 1.832 . . . . 0.0 114.869 -176.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.76 168.93 18.69 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.93 1.292 . . . . 0.0 112.1 -173.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 pp -75.66 154.22 36.7 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.237 0.615 . . . . 0.0 112.608 -176.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.29 136.03 12.47 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.249 0.928 . . . . 0.0 112.782 170.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -122.74 131.3 53.72 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.685 1.994 . . . . 0.0 109.284 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.0 t -91.65 120.66 32.61 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 168.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.1 tt -148.43 134.2 11.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 125.665 1.586 . . . . 0.0 109.591 -177.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.66 40.9 89.15 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 123.905 0.764 . . . . 0.0 113.976 -176.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 61.67 21.74 12.4 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.627 1.571 . . . . 0.0 115.014 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -142.23 139.22 31.91 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 120.762 -1.212 . . . . 0.0 113.126 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.2 t -63.68 129.15 38.97 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.256 1.423 . . . . 0.0 112.563 169.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -141.93 143.07 33.08 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.558 1.543 . . . . 0.0 111.325 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 m -93.11 144.53 25.18 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.771 0.828 . . . . 0.0 112.25 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.5 m -136.36 126.2 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 . . . . . 0 C--O 1.253 1.24 0 C-N-CA 126.722 2.009 . . . . 0.0 113.443 178.29 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.7 p . . . . . 0 CA--C 1.544 0.738 0 CA-C-O 121.398 0.618 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -78.75 59.77 2.62 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.576 1.95 . . . . 0.0 111.394 -175.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.3 tp -58.29 -39.56 79.65 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.074 1.35 . . . . 0.0 112.969 -174.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -64.41 -48.0 77.05 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.215 1.37 . . . . 0.0 112.863 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -65.06 -34.42 78.38 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 118.758 0.708 . . . . 0.0 112.415 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.5 t -63.38 -51.66 64.94 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.042 0.537 . . . . 0.0 111.272 172.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -62.88 -39.86 95.75 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 125.901 1.68 . . . . 0.0 112.196 -176.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.89 -36.51 80.37 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.876 0.762 . . . . 0.0 111.67 174.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.7 t -65.09 -33.43 76.0 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.486 -0.759 . . . . 0.0 112.493 172.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 m -75.5 -32.59 60.59 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.088 -1.008 . . . . 0.0 112.203 173.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.9 tpp85 -57.45 -39.16 75.72 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.241 1.416 . . . . 0.0 111.105 172.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.9 m -60.91 -25.12 66.51 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 171.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mt -87.81 -14.26 40.04 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.511 1.124 . . . . 0.0 113.443 171.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.54 31.14 22.51 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.773 1.178 . . . . 0.0 114.648 -171.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.3 168.47 23.96 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.435 1.617 . . . . 0.0 114.294 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.8 mt -74.62 149.34 40.07 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.045 1.338 . . . . 0.0 112.542 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.63 140.45 15.02 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.365 0.983 . . . . 0.0 111.01 167.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -137.89 123.27 19.49 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.077 1.351 . . . . 0.0 111.65 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.5 t -86.52 120.3 27.69 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.524 1.13 . . . . 0.0 110.762 174.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.8 mt -140.13 132.48 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.577 1.551 . . . . 0.0 108.217 172.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.89 42.39 78.67 Favored Glycine 0 CA--C 1.529 0.939 0 CA-C-N 118.198 0.454 . . . . 0.0 113.225 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 62.33 10.77 4.09 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -144.7 151.98 39.73 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 120.598 -1.314 . . . . 0.0 112.083 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.0 t -109.98 141.24 43.04 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -169.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -138.59 148.12 43.77 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.698 1.999 . . . . 0.0 110.139 -173.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.0 m -89.03 136.93 32.75 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.538 0.608 . . . . 0.0 112.212 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -144.23 125.7 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.814 1.245 . . . . 0.0 112.643 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 . . . . . 0 C--O 1.255 1.345 0 C-N-CA 126.648 1.979 . . . . 0.0 112.731 177.233 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -122.65 107.73 12.29 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.579 1.152 . . . . 0.0 109.863 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.21 -51.27 11.23 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.593 1.557 . . . . 0.0 113.521 -168.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.4 mmm-85 -58.74 -39.94 82.37 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 119.519 1.054 . . . . 0.0 112.558 -172.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 35.1 mmm-85 -70.28 -31.6 69.03 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 126.547 1.939 . . . . 0.0 113.932 173.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.6 t -78.09 -42.71 31.22 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.023 1.329 . . . . 0.0 112.58 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -56.76 -33.92 67.06 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.587 1.155 . . . . 0.0 112.273 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 mt -55.56 -39.28 70.44 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 122.574 1.178 . . . . 0.0 112.641 174.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.9 t -80.62 -37.68 30.65 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 126.032 1.733 . . . . 0.0 110.203 -174.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.1 m -72.46 -32.18 66.05 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.398 -0.814 . . . . 0.0 112.536 173.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -55.81 -35.87 66.81 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.578 1.551 . . . . 0.0 111.827 170.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.9 p -66.46 -17.08 64.59 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 174.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.1 mt -94.53 -23.1 17.82 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.492 1.517 . . . . 0.0 112.654 172.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.92 40.83 8.48 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.564 1.078 . . . . 0.0 113.39 -170.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.69 170.8 19.36 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.081 1.352 . . . . 0.0 112.951 175.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.7 mt -76.08 157.69 32.63 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.362 1.065 . . . . 0.0 113.561 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.0 129.24 8.81 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 126.027 1.775 . . . . 0.0 111.26 168.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -149.3 164.65 34.25 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.735 1.214 . . . . 0.0 112.3 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.6 m -74.1 136.74 42.99 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -173.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.3 mt -142.44 103.9 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.795 1.238 . . . . 0.0 108.678 169.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.7 49.78 22.45 Favored Glycine 0 CA--C 1.538 1.486 0 O-C-N 121.453 -0.78 . . . . 0.0 114.655 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 61.39 15.04 6.23 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 126.455 1.902 . . . . 0.0 116.038 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -141.14 149.47 41.57 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.51 1.524 . . . . 0.0 109.347 170.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.8 t -74.36 148.12 41.55 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.18 -0.95 . . . . 0.0 113.413 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -143.75 148.18 35.27 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.21 2.204 . . . . 0.0 109.473 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.1 m -86.62 138.67 31.49 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.909 -0.495 . . . . 0.0 112.312 176.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.7 m -146.51 136.72 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.357 1.463 . . . . 0.0 113.324 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 . . . . . 0 C--O 1.255 1.377 0 C-N-CA 126.554 1.942 . . . . 0.0 113.679 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.8 t . . . . . 0 CA--C 1.545 0.756 0 CA-C-O 121.668 0.746 . . . . 0.0 112.701 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -84.86 59.35 5.52 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.863 1.665 . . . . 0.0 112.881 -173.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.8 tp -64.12 -46.19 85.28 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -168.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -60.27 -43.93 95.76 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 120.191 1.36 . . . . 0.0 112.798 -175.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -66.31 -31.5 72.33 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.889 1.275 . . . . 0.0 113.156 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.5 t -68.37 -58.67 4.01 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.453 0.701 . . . . 0.0 110.253 169.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -51.42 -43.34 61.97 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.112 1.765 . . . . 0.0 114.366 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -69.33 -33.94 73.89 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.647 0.658 . . . . 0.0 112.449 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 t -73.5 -36.25 65.73 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.146 0.978 . . . . 0.0 111.864 176.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.7 m -64.78 -37.18 86.74 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.195 0.998 . . . . 0.0 111.07 171.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -63.09 -28.38 70.03 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.227 1.011 . . . . 0.0 113.45 174.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.0 m -64.13 -33.25 75.35 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.122 0.874 . . . . 0.0 112.559 170.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.6 mt -76.42 -40.79 49.73 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.552 -0.718 . . . . 0.0 111.198 170.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.36 14.5 8.22 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 126.252 1.882 . . . . 0.0 114.55 -172.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.27 168.85 9.48 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.177 1.391 . . . . 0.0 111.051 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 mt -83.45 159.39 21.77 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.329 1.052 . . . . 0.0 110.245 171.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.2 146.97 17.8 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 123.762 0.696 . . . . 0.0 111.828 169.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -144.99 135.31 24.13 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 118.31 1.055 . . . . 0.0 112.331 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.4 m -70.95 131.04 43.12 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.158 0.983 . . . . 0.0 112.128 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.4 tt -148.31 117.31 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 126.114 1.766 . . . . 0.0 109.684 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.23 35.72 91.95 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.272 0.939 . . . . 0.0 114.378 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 63.2 2.0 1.02 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 127.038 2.135 . . . . 0.0 115.434 -170.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -106.75 -170.89 1.79 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.589 1.956 . . . . 0.0 108.958 168.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.6 t -144.54 151.94 39.83 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 120.435 -1.416 . . . . 0.0 111.888 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -138.0 161.35 36.95 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.439 1.096 . . . . 0.0 111.163 169.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.1 m -92.33 140.76 29.27 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.889 0.875 . . . . 0.0 112.418 173.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.4 m -144.29 136.54 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 126.176 1.79 . . . . 0.0 111.449 -175.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . 0.252 0.0 OUTLIER . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.257 1.823 . . . . 0.0 111.925 -176.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -96.72 90.74 5.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.94 1.296 . . . . 0.0 110.045 175.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.87 -45.21 86.97 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.986 0.914 . . . . 0.0 112.779 -175.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.5 mmm-85 -59.64 -45.13 92.92 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.542 1.065 . . . . 0.0 110.98 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -58.92 -32.27 69.41 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.901 0.88 . . . . 0.0 112.919 172.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.3 t -75.41 -39.91 58.43 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.467 -0.77 . . . . 0.0 111.955 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -55.36 -40.15 70.94 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.681 -0.676 . . . . 0.0 111.761 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.64 -43.56 93.27 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.232 1.413 . . . . 0.0 112.293 175.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 t -65.55 -43.63 89.3 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.623 1.169 . . . . 0.0 110.818 -176.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.1 m -72.85 -37.75 67.29 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.701 -0.625 . . . . 0.0 111.753 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -57.2 -34.15 68.23 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.127 0.971 . . . . 0.0 111.431 169.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.2 m -73.97 -4.32 34.49 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.432 1.493 . . . . 0.0 114.427 173.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 mt -102.52 -25.74 13.49 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.153 1.381 . . . . 0.0 112.167 167.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.73 22.59 6.59 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 126.326 1.917 . . . . 0.0 115.055 -172.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.04 174.89 11.82 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.172 1.486 . . . . 0.0 114.775 -173.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.3 mt -83.69 171.26 13.41 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.267 1.427 . . . . 0.0 112.167 176.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.65 159.97 23.36 Favored Glycine 0 N--CA 1.472 1.079 0 C-N-CA 124.837 1.208 . . . . 0.0 114.264 175.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -151.68 138.89 19.27 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.604 1.562 . . . . 0.0 112.234 173.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.6 m -72.89 134.31 44.76 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.764 -0.585 . . . . 0.0 110.604 172.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.3 mt -131.95 83.62 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 177.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.09 -138.06 20.11 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.516 1.055 . . . . 0.0 111.359 -167.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -83.28 9.81 9.94 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -142.83 154.1 43.85 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 120.609 -1.307 . . . . 0.0 110.129 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.8 t -102.48 144.84 30.41 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 124.141 0.976 . . . . 0.0 111.899 -176.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -117.99 130.84 56.43 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.813 1.245 . . . . 0.0 109.821 171.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.0 m -77.35 136.7 38.47 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.074 0.55 . . . . 0.0 110.293 171.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.1 m -131.61 123.21 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.57 1.548 . . . . 0.0 111.044 -176.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 . . . . . 0 C--O 1.252 1.226 0 C-N-CA 128.392 2.677 . . . . 0.0 115.86 -169.286 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.9 p . . . . . 0 CA--C 1.544 0.747 0 CA-C-O 121.171 0.51 . . . . 0.0 111.552 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -85.61 61.04 6.61 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.793 1.637 . . . . 0.0 110.75 -176.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.66 -46.13 91.5 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.885 1.674 . . . . 0.0 114.047 -169.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -66.79 -41.35 87.75 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 121.07 -1.019 . . . . 0.0 112.687 -173.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -66.69 -31.97 72.97 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.48 1.112 . . . . 0.0 112.783 170.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.0 t -69.15 -45.47 70.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.828 1.251 . . . . 0.0 112.284 175.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -54.83 -41.76 71.08 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.761 -1.212 . . . . 0.0 111.908 173.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.2 tp -67.88 -30.91 70.39 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.675 1.99 . . . . 0.0 112.644 176.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.4 t -70.19 -48.29 57.8 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.396 -0.815 . . . . 0.0 111.567 170.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.9 m -65.33 -30.57 71.42 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.207 -0.933 . . . . 0.0 112.326 -177.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -51.52 -32.81 29.24 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.614 1.566 . . . . 0.0 112.817 169.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.2 t -63.69 -34.06 77.02 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.017 0.927 . . . . 0.0 112.982 176.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -78.93 -21.6 47.03 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.502 1.121 . . . . 0.0 112.42 173.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.17 31.06 15.1 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.366 1.46 . . . . 0.0 114.343 -170.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.56 168.37 19.93 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.369 1.068 . . . . 0.0 112.805 177.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -83.3 157.16 22.72 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.117 0.967 . . . . 0.0 112.825 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -109.21 145.09 16.6 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.904 1.24 . . . . 0.0 112.616 172.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -135.6 138.25 42.74 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.981 1.313 . . . . 0.0 112.775 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.2 t -72.27 135.05 45.9 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.392 1.077 . . . . 0.0 111.872 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.7 mt -124.54 78.78 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 125.709 1.604 . . . . 0.0 108.916 172.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.82 -89.59 0.24 Allowed Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.698 1.142 . . . . 0.0 112.357 -173.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -119.4 -8.03 10.11 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.872 1.669 . . . . 0.0 113.607 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -86.88 164.29 16.68 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.78 1.632 . . . . 0.0 110.055 168.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.6 t -143.37 129.66 19.88 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 120.995 -1.066 . . . . 0.0 111.477 168.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -123.02 141.88 51.47 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.45 1.5 . . . . 0.0 111.104 -170.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.4 m -84.66 139.74 31.82 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.032 0.533 . . . . 0.0 111.114 172.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.8 m -135.36 124.08 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 CA-C-O 121.774 0.797 . . . . 0.0 112.163 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.527 0 C-N-CA 126.885 2.074 . . . . 0.0 111.098 175.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.6 p . . . . . 0 CA--C 1.545 0.785 0 CA-C-O 121.235 0.54 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -83.15 53.01 2.33 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.564 1.145 . . . . 0.0 112.388 -173.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -51.33 -50.02 60.25 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.145 1.378 . . . . 0.0 114.497 -168.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -71.71 -38.91 70.47 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 121.225 -0.922 . . . . 0.0 111.914 -173.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -73.75 -28.93 61.94 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.829 1.251 . . . . 0.0 113.032 174.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.8 t -66.81 -54.66 20.25 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 126.058 1.743 . . . . 0.0 110.322 171.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -50.25 -52.59 34.9 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.32 1.048 . . . . 0.0 112.581 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 pp -64.55 -30.72 71.75 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.728 0.695 . . . . 0.0 112.442 -177.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.2 m -75.41 -40.96 57.13 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.339 1.056 . . . . 0.0 112.702 175.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.1 m -67.02 -38.09 85.31 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.393 1.077 . . . . 0.0 111.557 176.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -65.23 -30.19 71.05 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.212 1.405 . . . . 0.0 112.84 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -64.65 -37.87 89.05 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 169.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.1 mt -71.92 -13.9 61.78 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 120.904 -1.122 . . . . 0.0 113.05 171.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.06 22.54 48.47 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.836 1.207 . . . . 0.0 114.758 -174.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.75 -168.82 1.37 Allowed 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.821 1.311 . . . . 0.0 109.88 170.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.3 mt -115.39 169.86 8.83 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.977 1.711 . . . . 0.0 108.8 166.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.94 148.46 18.9 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 124.121 0.867 . . . . 0.0 114.275 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -140.63 130.64 24.69 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 127.033 2.133 . . . . 0.0 111.66 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.6 t -82.21 133.03 35.24 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.051 0.94 . . . . 0.0 111.974 171.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.3 pt -116.96 -161.31 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 C-N-CA 128.176 2.59 . . . . 0.0 109.938 175.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.18 94.4 0.06 OUTLIER Glycine 0 CA--C 1.539 1.593 0 O-C-N 120.796 -1.19 . . . . 0.0 114.221 176.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 57.56 20.99 6.66 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 128.774 2.83 . . . . 0.0 116.793 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -149.53 168.26 24.0 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.585 -1.322 . . . . 0.0 111.032 167.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.0 t -122.4 138.24 54.6 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.142 -0.974 . . . . 0.0 111.801 174.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -126.53 161.68 27.42 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.006 1.323 . . . . 0.0 111.071 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.3 m -86.53 156.58 20.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.035 0.445 . . . . 0.0 112.197 174.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -154.12 130.09 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 126.38 1.872 . . . . 0.0 109.606 -176.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--O 1.252 1.199 0 C-N-CA 124.874 1.269 . . . . 0.0 112.339 177.934 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.9 p . . . . . 0 CA--C 1.546 0.805 0 CA-C-O 121.115 0.483 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -91.06 78.24 5.95 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.491 1.516 . . . . 0.0 111.706 -174.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.2 tp -67.72 -40.38 84.26 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 -169.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -64.38 -44.6 90.84 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.355 0.98 . . . . 0.0 112.274 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -69.77 -33.09 71.93 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.415 1.086 . . . . 0.0 112.418 175.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.4 t -65.23 -51.2 62.43 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.786 0.834 . . . . 0.0 111.755 173.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.36 -46.45 69.57 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.115 0.966 . . . . 0.0 112.09 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.0 tp -67.07 -27.91 67.76 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.451 1.9 . . . . 0.0 112.631 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.8 t -80.47 -36.91 32.81 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.4 1.48 . . . . 0.0 113.075 172.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.2 m -69.81 -30.22 67.7 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.061 -1.024 . . . . 0.0 111.922 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -59.93 -24.96 64.77 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.001 0.92 . . . . 0.0 112.561 174.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.6 m -66.06 -27.1 67.83 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.692 1.197 . . . . 0.0 113.37 172.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -85.69 -18.22 33.77 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.522 1.129 . . . . 0.0 112.205 169.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.56 31.11 19.73 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.433 1.492 . . . . 0.0 113.988 -172.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.54 167.74 21.5 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.579 1.19 . . . . 0.0 114.156 177.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.9 mt -72.72 160.34 32.36 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.546 1.538 . . . . 0.0 113.189 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.36 142.91 15.19 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.86 1.695 . . . . 0.0 113.769 170.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -140.18 142.58 35.91 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.413 1.485 . . . . 0.0 113.567 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.1 t -73.68 140.05 45.8 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.433 1.093 . . . . 0.0 112.665 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.9 pt -118.61 7.6 6.82 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 C-N-CA 126.809 2.044 . . . . 0.0 114.424 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.95 -99.65 0.26 Allowed Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.922 1.725 . . . . 0.0 111.417 -175.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -101.11 4.02 41.78 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.481 1.512 . . . . 0.0 112.887 171.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -129.81 172.5 11.6 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 126.714 2.005 . . . . 0.0 111.782 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 46.1 t -142.44 135.89 28.92 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.881 0.872 . . . . 0.0 111.751 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -119.65 143.16 47.86 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 127.519 2.327 . . . . 0.0 109.873 -169.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.0 m -88.96 144.73 25.97 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.131 0.423 . . . . 0.0 111.936 174.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.54 128.5 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.893 1.277 . . . . 0.0 112.624 -178.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.186 1.794 . . . . 0.0 112.456 -179.545 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.2 p . . . . . 0 CA--C 1.543 0.675 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -75.15 150.1 38.83 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.655 1.982 . . . . 0.0 113.715 -175.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 tt -128.51 -67.26 0.8 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.364 1.066 . . . . 0.0 111.869 -173.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -59.04 -43.73 91.69 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 119.979 1.263 . . . . 0.0 112.109 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -69.66 -25.31 63.84 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 175.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.5 t -70.99 -52.27 20.66 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.438 0.695 . . . . 0.0 110.541 170.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -53.54 -50.81 64.69 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.187 0.995 . . . . 0.0 112.54 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -29.95 70.74 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.546 -0.721 . . . . 0.0 112.906 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.9 t -67.38 -32.81 73.97 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.306 1.043 . . . . 0.0 112.729 171.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.3 m -78.35 -27.01 46.94 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 118.744 -0.646 . . . . 0.0 112.503 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.5 mmt-85 -57.84 -31.86 67.07 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.805 1.184 . . . . 0.0 112.541 168.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.6 m -65.39 -18.93 65.7 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 173.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.8 mt -95.83 -26.55 15.59 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.66 1.184 . . . . 0.0 111.961 168.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.45 26.59 8.59 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 127.253 2.359 . . . . 0.0 115.111 -175.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.53 177.72 7.39 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.665 1.586 . . . . 0.0 113.355 -176.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.5 mt -75.69 164.03 26.69 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.211 1.804 . . . . 0.0 111.831 168.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.32 142.79 13.85 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.277 0.941 . . . . 0.0 114.281 174.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -141.3 150.92 43.16 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.496 1.918 . . . . 0.0 111.129 174.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.8 t -78.91 127.47 32.05 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.565 -0.709 . . . . 0.0 110.724 168.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.8 mm -133.73 122.91 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 126.742 2.017 . . . . 0.0 108.035 177.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.3 44.26 96.66 Favored Glycine 0 CA--C 1.536 1.372 0 O-C-N 121.425 -0.797 . . . . 0.0 114.052 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 67.79 13.91 9.32 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 125.957 1.703 . . . . 0.0 115.564 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -139.4 156.52 46.93 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 127.183 2.193 . . . . 0.0 111.776 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.6 t -64.85 138.26 58.27 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.02 -1.05 . . . . 0.0 112.887 171.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -136.74 129.54 30.66 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 128.181 2.592 . . . . 0.0 108.634 169.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 55.7 m -86.68 146.59 26.24 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.562 -0.711 . . . . 0.0 111.68 174.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.7 m -141.26 132.11 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 124.202 1.001 . . . . 0.0 113.375 -169.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 C--O 1.251 1.164 0 C-N-CA 123.973 0.909 . . . . 0.0 110.7 167.347 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 t . . . . . 0 CA--C 1.544 0.716 0 N-CA-C 111.679 0.252 . . . . 0.0 111.679 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -76.49 58.85 1.39 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.356 1.863 . . . . 0.0 111.496 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.12 -49.36 76.19 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.243 1.817 . . . . 0.0 113.88 -168.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -63.51 -43.11 98.16 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.745 1.157 . . . . 0.0 113.68 -172.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -71.93 -29.14 63.98 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.075 0.95 . . . . 0.0 112.886 174.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.6 t -66.51 -58.01 6.11 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.6 0.76 . . . . 0.0 110.206 172.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.59 -47.44 73.33 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.155 1.382 . . . . 0.0 113.203 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 pp -63.11 -33.95 76.56 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.227 0.921 . . . . 0.0 111.662 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.3 m -68.19 -45.91 72.1 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.38 0.672 . . . . 0.0 111.702 172.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.9 m -61.0 -42.79 99.13 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.287 1.035 . . . . 0.0 112.212 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -67.05 -25.47 66.27 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 125.152 1.381 . . . . 0.0 112.167 -177.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.4 p -65.43 -27.75 68.75 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 170.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt -87.38 -14.04 41.75 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.929 1.292 . . . . 0.0 113.118 174.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.92 15.67 55.87 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.837 1.208 . . . . 0.0 114.904 -174.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.19 174.14 6.39 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.156 1.383 . . . . 0.0 111.117 176.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.5 mt -107.3 148.32 29.14 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.462 1.105 . . . . 0.0 111.645 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.77 144.33 17.11 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.121 0.867 . . . . 0.0 113.01 175.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -144.23 145.17 31.89 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.205 1.002 . . . . 0.0 112.73 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.3 m -81.78 104.31 12.07 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.524 1.13 . . . . 0.0 111.198 176.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.5 mt -89.1 58.87 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.368 1.467 . . . . 0.0 108.235 175.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.5 -135.01 12.25 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 125.322 1.439 . . . . 0.0 111.274 -167.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -78.82 -4.62 50.43 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.522 1.529 . . . . 0.0 113.801 177.407 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -118.56 142.11 47.93 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.208 2.203 . . . . 0.0 110.942 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.5 t -111.02 145.19 38.9 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.212 1.005 . . . . 0.0 112.788 -175.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -139.05 143.52 38.42 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.445 1.098 . . . . 0.0 112.009 176.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.9 m -85.81 133.85 33.96 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.134 0.973 . . . . 0.0 111.989 171.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.22 134.15 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 N-CA-C 115.243 1.571 . . . . 0.0 115.243 -173.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 127.032 2.133 . . . . 0.0 111.619 168.332 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.9 p . . . . . 0 CA--C 1.543 0.685 0 CA-C-O 120.91 0.386 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -85.14 69.23 10.75 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.547 1.539 . . . . 0.0 110.584 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.98 -45.08 95.21 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.933 1.293 . . . . 0.0 113.319 -170.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.39 -49.47 73.71 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.341 0.973 . . . . 0.0 113.014 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -56.03 -35.43 66.87 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.851 0.86 . . . . 0.0 112.06 172.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.1 t -71.43 -53.09 15.18 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.731 1.212 . . . . 0.0 111.892 177.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -54.18 -44.99 72.0 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.701 1.591 . . . . 0.0 112.579 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.34 -25.6 62.46 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 122.707 0.403 . . . . 0.0 111.844 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.6 t -71.38 -45.31 63.16 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.773 0.829 . . . . 0.0 111.664 168.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.7 m -65.26 -23.45 67.05 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.729 1.612 . . . . 0.0 112.302 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -56.31 -33.44 65.57 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.747 1.219 . . . . 0.0 112.616 170.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.6 p -71.4 -5.58 33.81 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 175.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.6 mt -105.05 -16.7 14.73 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.376 1.47 . . . . 0.0 111.875 168.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.78 21.89 27.39 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.117 1.341 . . . . 0.0 115.236 -175.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.08 171.69 14.51 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.392 1.077 . . . . 0.0 113.66 -173.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.6 mt -81.55 170.37 15.96 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.602 1.161 . . . . 0.0 112.58 176.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.3 141.68 15.95 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.285 1.422 . . . . 0.0 111.879 173.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -120.79 129.96 53.8 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.114 2.166 . . . . 0.0 110.908 -174.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.2 t -73.98 131.2 41.17 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.751 0.82 . . . . 0.0 112.43 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.7 mt -123.92 75.59 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 127.166 2.186 . . . . 0.0 108.703 176.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.38 -98.4 0.66 Allowed Glycine 0 CA--C 1.531 1.059 0 C-N-CA 124.475 1.036 . . . . 0.0 113.613 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 pm0 -99.51 -1.84 37.38 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.26 1.424 . . . . 0.0 113.944 174.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -123.75 173.81 7.9 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.055 1.342 . . . . 0.0 111.321 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.7 t -143.24 148.29 36.19 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 121.161 -0.962 . . . . 0.0 111.522 173.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -137.37 137.43 38.86 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.156 1.382 . . . . 0.0 110.946 -172.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.8 m -78.96 135.47 36.95 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.905 -0.497 . . . . 0.0 112.129 -177.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.5 m -131.95 125.29 54.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.53 1.132 . . . . 0.0 112.807 -173.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 128.532 2.733 . . . . 0.0 114.474 178.614 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.6 p . . . . . 0 CA--C 1.542 0.655 0 CA-C-O 122.164 0.983 . . . . 0.0 113.297 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -75.69 67.64 2.17 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.782 2.033 . . . . 0.0 111.122 -176.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.9 tp -58.04 -37.98 75.41 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.335 -1.478 . . . . 0.0 113.274 -173.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -64.89 -22.39 66.99 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.248 1.019 . . . . 0.0 113.176 177.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -93.82 -21.87 19.01 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.616 1.566 . . . . 0.0 113.081 173.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 51.8 t -71.73 -44.95 63.22 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.371 1.069 . . . . 0.0 111.532 169.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.12 -49.47 73.8 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.912 0.885 . . . . 0.0 112.252 174.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.66 -25.44 64.82 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.343 -0.848 . . . . 0.0 113.173 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.7 t -69.91 -51.21 34.93 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.877 1.271 . . . . 0.0 111.337 172.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.2 m -68.14 -25.48 65.3 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.132 -0.98 . . . . 0.0 113.038 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -59.67 -18.23 40.42 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 168.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.6 t -61.36 -34.22 74.95 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.284 0.947 . . . . 0.0 112.711 169.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.0 mt -83.95 -34.57 24.41 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.34 1.056 . . . . 0.0 111.142 168.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.23 3.94 31.08 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 126.328 1.918 . . . . 0.0 114.484 -176.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.06 173.38 7.07 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.187 1.395 . . . . 0.0 111.333 176.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 pp -75.59 154.16 36.9 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.13 0.972 . . . . 0.0 112.12 170.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.93 140.72 15.04 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 124.875 1.226 . . . . 0.0 111.307 169.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -135.58 137.71 42.25 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.174 1.389 . . . . 0.0 109.601 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.3 t -88.19 122.32 31.61 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.5 0.667 . . . . 0.0 110.58 173.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.8 mm -89.85 65.63 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 124.66 1.184 . . . . 0.0 108.904 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.83 -46.19 1.41 Allowed Glycine 0 CA--C 1.536 1.353 0 C-N-CA 126.625 2.06 . . . . 0.0 115.06 -175.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -140.65 -13.79 0.97 Allowed 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 -175.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -137.78 145.32 42.24 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 120.992 -1.067 . . . . 0.0 111.926 -170.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 29.0 t -80.72 136.41 36.16 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.575 1.15 . . . . 0.0 113.204 -175.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -138.99 143.53 38.54 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.406 1.483 . . . . 0.0 110.307 169.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.8 m -97.12 141.46 30.22 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.794 0.838 . . . . 0.0 111.158 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.0 m -141.36 141.35 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 . . . . . 0 C--O 1.252 1.23 0 C-N-CA 127.287 2.235 . . . . 0.0 115.227 -173.284 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 48.9 t . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -84.09 68.55 10.12 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.093 1.757 . . . . 0.0 112.244 173.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.48 -42.59 96.59 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 120.995 -1.066 . . . . 0.0 112.157 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -66.48 -50.52 63.02 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 -65.67 -18.74 65.54 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 175.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.4 t -81.44 -55.76 4.48 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.482 1.113 . . . . 0.0 112.794 170.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -52.96 -41.39 64.49 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.558 1.543 . . . . 0.0 113.017 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 pp -61.49 -32.88 72.92 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.396 0.544 . . . . 0.0 112.394 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.6 p -71.74 -43.83 65.15 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.433 -0.792 . . . . 0.0 112.076 174.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.1 m -60.92 -29.71 69.76 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.75 0.82 . . . . 0.0 110.811 175.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -34.72 76.88 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.612 1.165 . . . . 0.0 112.628 173.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.9 t -64.24 -36.38 83.9 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.849 0.86 . . . . 0.0 111.814 173.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -77.64 -19.51 55.34 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.137 0.975 . . . . 0.0 112.547 174.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.13 27.32 40.94 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 125.445 1.498 . . . . 0.0 114.685 -176.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.62 170.91 15.29 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.128 1.771 . . . . 0.0 112.715 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.4 mt -79.4 152.19 30.5 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.959 1.304 . . . . 0.0 113.875 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.74 147.23 17.42 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 125.762 1.649 . . . . 0.0 112.472 168.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -141.74 132.0 24.98 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.5 1.52 . . . . 0.0 111.375 -175.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.5 m -75.17 130.5 39.29 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.484 -0.76 . . . . 0.0 111.668 172.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.9 mt -126.08 72.72 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.647 1.579 . . . . 0.0 107.239 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.93 -147.56 30.75 Favored Glycine 0 CA--C 1.537 1.432 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 -165.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.0 pm0 -69.74 3.78 2.33 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 -173.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -141.32 152.32 44.34 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.802 1.641 . . . . 0.0 111.647 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.8 t -105.63 155.78 18.89 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.04 1.336 . . . . 0.0 113.268 -177.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -143.88 146.1 32.77 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.276 2.231 . . . . 0.0 109.96 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 m -83.54 150.87 25.69 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.526 0.731 . . . . 0.0 112.517 178.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 m -144.39 130.56 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.923 1.689 . . . . 0.0 111.665 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 . . . . . 0 C--O 1.255 1.355 0 C-N-CA 125.165 1.386 . . . . 0.0 112.433 175.582 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.8 p . . . . . 0 CA--C 1.547 0.858 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -72.06 50.68 0.21 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 128.474 2.709 . . . . 0.0 114.169 174.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.76 -50.85 71.88 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.758 1.223 . . . . 0.0 114.193 -169.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -57.79 -43.08 85.38 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.995 1.271 . . . . 0.0 112.598 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 50.8 mmm-85 -71.17 -25.3 62.48 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.595 1.158 . . . . 0.0 113.417 176.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 t -76.95 -49.32 15.79 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.982 0.913 . . . . 0.0 112.769 173.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -53.99 -40.39 66.88 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 118.788 0.722 . . . . 0.0 112.161 -178.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -70.92 -24.26 62.42 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.3 t -70.6 -48.94 52.62 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.222 -0.924 . . . . 0.0 111.476 171.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.7 m -64.15 -31.1 72.18 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.271 1.028 . . . . 0.0 112.521 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -53.56 -32.03 49.08 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.072 1.749 . . . . 0.0 112.601 173.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.2 p -71.19 -32.42 68.85 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.5 mt -76.67 -26.66 55.04 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.124 0.97 . . . . 0.0 111.502 177.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.55 24.3 11.22 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 125.792 1.663 . . . . 0.0 114.579 -174.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.11 167.13 22.93 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.08 1.352 . . . . 0.0 112.697 -178.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 38.3 mt -82.68 151.0 26.45 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.642 0.777 . . . . 0.0 112.612 -177.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.49 127.85 9.3 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 168.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -124.45 122.85 38.78 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 118.121 0.961 . . . . 0.0 110.793 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.2 t -85.15 109.39 18.25 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.335 1.054 . . . . 0.0 111.378 176.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.2 mt -140.37 121.37 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 124.889 1.276 . . . . 0.0 108.833 -177.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.23 31.14 35.26 Favored Glycine 0 CA--C 1.536 1.354 0 O-C-N 121.721 -0.612 . . . . 0.0 113.508 -171.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 58.91 34.21 23.5 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.211 1.804 . . . . 0.0 112.294 -176.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -156.5 138.49 14.45 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.586 1.554 . . . . 0.0 110.336 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.4 t -98.26 137.27 37.25 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -137.23 139.12 40.82 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 127.222 2.209 . . . . 0.0 109.276 -175.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.2 m -81.83 128.34 33.92 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.178 0.591 . . . . 0.0 111.245 178.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.6 m -144.8 143.35 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.886 1.674 . . . . 0.0 113.086 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 127.949 2.499 . . . . 0.0 115.465 179.905 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.5 p . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -75.23 58.5 0.94 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.933 2.093 . . . . 0.0 112.859 -170.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.2 tp -59.16 -33.66 71.18 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.837 1.655 . . . . 0.0 113.686 -171.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -42.01 76.2 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 120.292 1.405 . . . . 0.0 112.563 176.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -67.99 -30.33 69.56 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.988 1.315 . . . . 0.0 112.019 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.0 t -71.64 -52.27 18.86 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.339 1.056 . . . . 0.0 111.969 169.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -53.61 -39.11 64.66 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.602 1.161 . . . . 0.0 112.416 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -69.97 -34.6 73.59 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.32 0.964 . . . . 0.0 113.035 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.4 m -68.75 -34.73 76.08 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.797 0.726 . . . . 0.0 112.897 173.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.9 m -77.06 -30.42 55.57 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.603 -0.685 . . . . 0.0 111.721 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.6 ttp85 -57.43 -36.03 70.84 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.8 1.24 . . . . 0.0 112.879 173.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.2 m -63.49 -35.85 81.81 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.05 0.54 . . . . 0.0 112.327 173.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt -72.87 -28.3 62.43 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.125 0.875 . . . . 0.0 112.852 173.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.22 34.99 7.75 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.831 1.205 . . . . 0.0 113.447 -171.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.68 166.99 23.62 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.505 1.122 . . . . 0.0 111.917 175.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.1 mt -74.66 160.33 30.95 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.961 0.904 . . . . 0.0 112.46 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.89 135.18 12.31 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.903 1.239 . . . . 0.0 110.782 169.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -137.96 142.37 40.51 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.416 1.487 . . . . 0.0 111.442 -177.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.0 t -91.1 134.22 34.7 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.833 1.253 . . . . 0.0 111.988 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.8 tt -150.4 103.57 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 125.154 1.382 . . . . 0.0 111.264 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.22 51.78 5.98 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.007 1.289 . . . . 0.0 114.397 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 64.6 14.48 9.02 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.899 1.68 . . . . 0.0 115.424 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -148.17 154.41 40.1 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.155 1.382 . . . . 0.0 110.648 171.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.6 t -115.38 139.32 50.11 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 124.779 1.231 . . . . 0.0 113.733 -173.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -127.6 168.26 15.24 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 127.565 2.346 . . . . 0.0 111.08 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.4 m -93.45 143.53 26.2 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.4 m -141.38 127.55 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.357 1.063 . . . . 0.0 112.556 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 . . . . . 0 C--O 1.252 1.237 0 C-N-CA 126.272 1.829 . . . . 0.0 112.352 170.073 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.6 t . . . . . 0 CA--C 1.543 0.69 0 CA-C-O 120.817 0.341 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -118.61 103.95 10.18 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.0 1.32 . . . . 0.0 109.803 177.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.0 tp -56.2 -39.57 72.64 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.468 1.107 . . . . 0.0 113.729 -168.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -66.8 -35.53 80.27 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.41 -33.28 60.94 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.933 1.693 . . . . 0.0 112.365 176.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.6 t -64.9 -53.06 52.54 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.87 0.868 . . . . 0.0 110.824 170.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.61 -48.94 74.06 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.007 1.323 . . . . 0.0 113.417 177.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.14 -26.68 67.55 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.677 0.671 . . . . 0.0 112.528 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.0 m -74.81 -43.18 56.04 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.968 0.907 . . . . 0.0 112.032 173.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 57.6 m -67.49 -25.47 65.88 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.098 0.959 . . . . 0.0 112.411 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -33.41 23.3 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.994 1.718 . . . . 0.0 113.842 170.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.6 t -70.56 -33.4 71.06 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.849 0.86 . . . . 0.0 112.511 177.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.1 mt -74.83 -29.79 61.17 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.355 -0.841 . . . . 0.0 112.331 175.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.15 31.14 5.43 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 125.848 1.689 . . . . 0.0 114.411 -173.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.8 173.9 14.19 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -175.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.41 152.33 30.4 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.0 1.32 . . . . 0.0 113.322 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.55 149.36 18.38 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 125.121 1.343 . . . . 0.0 113.592 174.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -145.67 144.2 30.27 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.424 1.489 . . . . 0.0 112.385 178.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 92.9 m -89.82 133.66 34.61 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.376 1.07 . . . . 0.0 111.285 173.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.7 tt -154.85 132.09 2.27 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 126.199 1.799 . . . . 0.0 110.749 177.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.45 37.18 93.69 Favored Glycine 0 CA--C 1.542 1.739 0 O-C-N 120.529 -1.357 . . . . 0.0 114.609 176.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 59.19 29.33 18.87 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.558 1.543 . . . . 0.0 114.208 -172.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -147.76 149.96 33.36 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.24 -0.912 . . . . 0.0 113.317 177.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.1 t -77.35 141.6 39.77 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.088 1.355 . . . . 0.0 112.701 175.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -134.41 136.47 43.32 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.323 1.849 . . . . 0.0 109.913 169.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.8 m -97.84 139.86 33.07 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.115 0.566 . . . . 0.0 111.601 170.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.6 m -137.64 135.27 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 123.844 0.858 . . . . 0.0 113.107 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 . . . . . 0 C--O 1.254 1.315 0 C-N-CA 125.219 1.407 . . . . 0.0 112.9 176.414 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.1 t . . . . . 0 CA--C 1.546 0.794 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -64.72 100.09 0.37 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.907 0.883 . . . . 0.0 110.647 168.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 61.7 tp -66.8 -44.99 79.79 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.07 1.348 . . . . 0.0 112.518 176.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -66.48 -40.91 89.59 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.33 -0.856 . . . . 0.0 112.57 -172.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -61.9 -25.83 67.8 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.678 1.191 . . . . 0.0 112.787 175.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.4 t -79.91 -51.8 8.66 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.881 1.272 . . . . 0.0 111.617 169.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -52.22 -43.29 64.19 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.59 -35.11 78.37 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.157 0.583 . . . . 0.0 112.495 179.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 t -70.65 -36.06 73.21 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.815 -0.553 . . . . 0.0 112.121 174.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.5 m -67.16 -30.96 71.07 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.322 -0.861 . . . . 0.0 112.314 172.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -59.94 -28.89 68.01 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.13 0.972 . . . . 0.0 112.316 174.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.3 m -64.42 -16.6 62.67 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.449 1.278 . . . . 0.0 114.449 173.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 mt -100.88 -14.76 17.81 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.712 1.205 . . . . 0.0 112.24 170.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.8 26.07 30.49 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.546 1.545 . . . . 0.0 114.813 -171.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.31 169.57 13.41 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.991 1.396 . . . . 0.0 113.307 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pp -88.0 158.99 18.48 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.238 1.015 . . . . 0.0 111.168 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -114.53 150.47 18.66 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.011 0.815 . . . . 0.0 114.255 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -141.26 150.35 42.49 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 128.16 2.584 . . . . 0.0 108.446 174.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.2 t -129.68 121.18 26.45 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.426 -0.796 . . . . 0.0 112.716 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.9 mt -135.03 133.91 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.35 1.06 . . . . 0.0 109.671 -175.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.78 44.36 96.36 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-O 119.257 -0.746 . . . . 0.0 112.812 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 63.39 3.23 1.35 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.31 2.244 . . . . 0.0 115.389 -172.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -123.31 133.29 54.16 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 120.865 -1.147 . . . . 0.0 113.799 -169.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.5 t -70.54 145.44 50.82 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.665 1.186 . . . . 0.0 113.463 178.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -140.86 145.05 35.69 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.047 1.739 . . . . 0.0 110.366 167.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.9 m -114.84 140.75 48.69 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.646 1.578 . . . . 0.0 111.743 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.7 m -139.13 137.77 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.983 0.913 . . . . 0.0 113.229 -178.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 . . . . . 0 C--O 1.262 1.747 0 C-N-CA 125.045 1.338 . . . . 0.0 110.469 169.423 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.2 p . . . . . 0 CA--C 1.546 0.798 0 N-CA-C 114.147 1.165 . . . . 0.0 114.147 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -112.45 93.02 4.23 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.639 1.976 . . . . 0.0 111.64 -169.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.9 tp -68.08 -50.54 54.37 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -169.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.3 ttp85 -69.08 -28.66 66.71 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.84 -1.162 . . . . 0.0 112.924 -176.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -72.5 -30.56 64.61 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.291 1.037 . . . . 0.0 112.957 168.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.72 -47.76 71.3 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.461 0.573 . . . . 0.0 110.043 170.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -53.35 -50.39 65.13 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.204 1.001 . . . . 0.0 113.576 175.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.11 -29.79 67.94 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.584 0.629 . . . . 0.0 112.45 -178.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -72.17 -44.75 62.56 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.666 0.786 . . . . 0.0 111.853 174.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.1 m -65.15 -30.76 71.71 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.082 -1.012 . . . . 0.0 112.083 176.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -61.48 -23.57 65.98 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 118.093 -0.956 . . . . 0.0 112.83 176.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.5 p -61.42 -28.01 68.95 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.299 0.954 . . . . 0.0 113.232 170.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -84.32 -19.05 34.36 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.379 1.472 . . . . 0.0 112.927 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.11 22.1 18.46 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 125.716 1.626 . . . . 0.0 115.47 -172.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.79 169.03 21.38 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.151 1.38 . . . . 0.0 113.898 -174.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 pp -81.72 162.53 22.94 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.464 1.506 . . . . 0.0 113.499 -177.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -124.07 149.14 16.88 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.477 1.037 . . . . 0.0 115.431 176.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -139.11 159.97 40.89 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 127.343 2.257 . . . . 0.0 112.69 169.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.5 t -86.97 121.18 29.08 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.188 0.995 . . . . 0.0 111.357 170.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.2 mt -138.92 122.0 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 126.346 1.859 . . . . 0.0 108.48 -173.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.16 34.14 86.9 Favored Glycine 0 CA--C 1.537 1.458 0 O-C-N 121.228 -0.92 . . . . 0.0 114.035 -170.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 57.58 28.93 16.37 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 126.114 1.766 . . . . 0.0 115.244 -172.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -145.32 154.82 42.74 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.831 1.652 . . . . 0.0 110.855 172.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.8 t -62.19 142.13 57.82 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.732 -1.23 . . . . 0.0 113.4 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.1 tttt -141.06 141.05 34.32 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 126.749 2.02 . . . . 0.0 109.615 169.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.0 m -109.73 134.23 52.23 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.594 1.157 . . . . 0.0 111.685 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.8 m -133.33 135.37 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.332 1.053 . . . . 0.0 112.733 -177.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.537 1.535 . . . . 0.0 112.335 174.81 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.6 p . . . . . 0 CA--C 1.543 0.705 0 CA-C-O 121.716 0.77 . . . . 0.0 113.057 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -91.21 71.91 6.23 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.393 1.477 . . . . 0.0 108.868 174.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.6 tp -68.61 -42.45 78.13 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.069 0.947 . . . . 0.0 112.812 -169.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -44.01 89.64 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.256 0.935 . . . . 0.0 111.831 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -72.29 -27.08 62.23 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 173.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.2 -50.88 62.34 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.011 0.823 . . . . 0.0 110.824 171.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -56.7 -42.24 78.77 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.791 1.236 . . . . 0.0 113.833 -178.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -72.71 -28.63 62.78 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.044 0.386 . . . . 0.0 112.044 176.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.3 m -71.79 -39.79 69.66 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.383 0.673 . . . . 0.0 111.722 173.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.2 m -61.31 -28.9 69.54 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.804 1.241 . . . . 0.0 111.956 172.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -62.53 -22.25 66.16 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.873 0.869 . . . . 0.0 113.143 174.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.7 p -67.68 -30.55 70.11 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.218 0.917 . . . . 0.0 112.948 170.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 mt -75.89 -31.08 59.04 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.27 1.028 . . . . 0.0 111.09 169.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.99 13.1 7.97 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 127.157 2.313 . . . . 0.0 114.926 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.56 176.21 8.92 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -167.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 pp -85.18 167.18 15.94 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.461 1.504 . . . . 0.0 113.198 178.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -125.76 152.07 17.9 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.09 1.328 . . . . 0.0 114.241 176.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -138.18 132.23 31.56 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.454 1.902 . . . . 0.0 111.207 -173.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.5 t -79.7 133.21 36.35 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.236 1.014 . . . . 0.0 111.836 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.2 mm -96.54 -15.48 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 126.769 2.028 . . . . 0.0 112.251 -178.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.5 -77.89 0.21 Allowed Glycine 0 CA--C 1.526 0.774 0 C-N-CA 126.751 2.12 . . . . 0.0 110.185 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -104.97 -30.11 10.02 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.485 1.514 . . . . 0.0 112.126 169.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -92.63 171.18 9.17 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.601 1.161 . . . . 0.0 112.1 173.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 40.1 t -144.08 139.94 29.2 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.114 1.366 . . . . 0.0 110.902 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -121.21 152.53 38.71 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.426 1.491 . . . . 0.0 111.522 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 m -93.57 144.02 25.76 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.655 0.782 . . . . 0.0 111.715 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.1 m -139.03 136.62 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 . . . . . 0 C--O 1.254 1.327 0 C-N-CA 126.744 2.018 . . . . 0.0 115.305 -179.806 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 CA--C 1.546 0.795 0 CA-C-O 121.464 0.65 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -71.49 52.42 0.2 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 127.792 2.437 . . . . 0.0 112.993 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.2 tp -58.37 -36.9 74.19 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.532 -1.355 . . . . 0.0 113.58 -169.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -64.86 -49.24 71.3 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.468 1.031 . . . . 0.0 111.533 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -71.93 -30.38 65.28 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.201 1.001 . . . . 0.0 112.402 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.5 t -65.02 -53.59 43.67 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.68 1.192 . . . . 0.0 111.062 171.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -55.53 -42.05 74.01 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 120.823 -1.173 . . . . 0.0 112.982 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 pp -72.9 -32.12 65.14 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 118.899 0.772 . . . . 0.0 112.3 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 64.6 m -66.02 -40.12 90.8 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.117 0.967 . . . . 0.0 112.19 172.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.8 m -73.02 -35.12 66.73 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.53 1.132 . . . . 0.0 112.124 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.7 ttm-85 -55.99 -31.33 62.94 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.304 1.041 . . . . 0.0 112.918 174.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.0 t -56.59 -40.99 76.22 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 172.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -79.54 -14.96 58.5 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.714 1.206 . . . . 0.0 113.264 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.8 18.65 50.66 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.628 1.108 . . . . 0.0 114.985 -173.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.8 165.91 17.16 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.817 1.309 . . . . 0.0 112.433 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 pp -83.67 153.81 24.02 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.268 1.027 . . . . 0.0 111.329 175.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.22 141.64 15.41 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 124.902 1.239 . . . . 0.0 111.808 169.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -137.32 131.84 32.78 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.575 1.15 . . . . 0.0 111.397 -174.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.3 t -82.23 130.72 35.16 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.364 1.065 . . . . 0.0 112.492 -176.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.4 mt -123.77 91.45 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 127.05 2.14 . . . . 0.0 108.07 176.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.18 -118.45 11.15 Favored Glycine 0 CA--C 1.532 1.136 0 O-C-N 121.382 -0.824 . . . . 0.0 112.65 -175.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.16 4.35 48.86 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.127 1.371 . . . . 0.0 113.649 171.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -111.02 161.67 15.64 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.84 1.656 . . . . 0.0 112.25 -178.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.5 t -138.41 139.93 39.13 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.356 -0.84 . . . . 0.0 111.727 169.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -129.34 144.27 51.17 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.563 1.945 . . . . 0.0 110.249 -174.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.1 m -86.56 142.78 28.05 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.92 0.782 . . . . 0.0 111.058 172.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.01 126.37 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 . . . . . 0 C--O 1.246 0.884 0 C-N-CA 127.328 2.251 . . . . 0.0 113.692 -176.479 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -73.32 139.5 46.1 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.453 -0.78 . . . . 0.0 112.307 -179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.3 p -73.13 4.3 4.57 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 173.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 41.0 64.23 1.03 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.431 2.692 . . . . 0.0 114.034 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 66.5 tp -59.17 -37.64 77.86 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.02 0.928 . . . . 0.0 113.202 -174.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -71.6 -21.27 61.87 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.999 -1.063 . . . . 0.0 113.172 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -83.28 -28.81 28.87 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.016 1.326 . . . . 0.0 111.92 169.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.9 t -67.31 -45.5 76.3 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.029 1.331 . . . . 0.0 111.687 176.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -53.07 -37.49 61.69 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.884 0.873 . . . . 0.0 113.182 177.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.22 -48.12 79.64 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.375 1.47 . . . . 0.0 111.322 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.1 t -67.69 -35.26 78.48 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 126.385 1.874 . . . . 0.0 111.473 -173.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.3 m -75.86 -32.63 59.82 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.962 0.905 . . . . 0.0 112.529 171.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -63.79 -23.96 67.57 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 120.992 -1.068 . . . . 0.0 113.362 174.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.0 m -64.65 -33.27 75.54 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.921 0.888 . . . . 0.0 113.35 169.442 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.6 mt -75.19 -40.09 59.62 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.508 0.723 . . . . 0.0 110.766 169.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.83 20.05 4.67 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 126.147 1.832 . . . . 0.0 114.869 -176.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.76 168.93 18.69 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.93 1.292 . . . . 0.0 112.1 -173.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 pp -75.66 154.22 36.7 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.237 0.615 . . . . 0.0 112.608 -176.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.29 136.03 12.47 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.249 0.928 . . . . 0.0 112.782 170.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -122.74 131.3 53.72 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.685 1.994 . . . . 0.0 109.284 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.0 t -91.65 120.66 32.61 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 168.204 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.1 tt -148.43 134.2 11.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 125.665 1.586 . . . . 0.0 109.591 -177.515 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.66 40.9 89.15 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 123.905 0.764 . . . . 0.0 113.976 -176.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 61.67 21.74 12.4 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.627 1.571 . . . . 0.0 115.014 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -142.23 139.22 31.91 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 120.762 -1.212 . . . . 0.0 113.126 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.2 t -63.68 129.15 38.97 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.256 1.423 . . . . 0.0 112.563 169.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -141.93 143.07 33.08 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.558 1.543 . . . . 0.0 111.325 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 m -93.11 144.53 25.18 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.771 0.828 . . . . 0.0 112.25 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.5 m -136.36 126.2 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 . . . . . 0 C--O 1.253 1.24 0 C-N-CA 126.722 2.009 . . . . 0.0 113.443 178.29 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.799 0 CA-C-O 120.482 0.182 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -72.2 161.2 31.2 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.462 0.705 . . . . 0.0 111.486 170.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.7 p -68.61 137.87 54.59 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 121.398 0.618 . . . . 0.0 111.149 175.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -78.75 59.77 2.62 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.576 1.95 . . . . 0.0 111.394 -175.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.3 tp -58.29 -39.56 79.65 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.074 1.35 . . . . 0.0 112.969 -174.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -64.41 -48.0 77.05 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.215 1.37 . . . . 0.0 112.863 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -65.06 -34.42 78.38 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 118.758 0.708 . . . . 0.0 112.415 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.5 t -63.38 -51.66 64.94 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.042 0.537 . . . . 0.0 111.272 172.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -62.88 -39.86 95.75 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 125.901 1.68 . . . . 0.0 112.196 -176.397 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.89 -36.51 80.37 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.876 0.762 . . . . 0.0 111.67 174.168 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.7 t -65.09 -33.43 76.0 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.486 -0.759 . . . . 0.0 112.493 172.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 m -75.5 -32.59 60.59 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.088 -1.008 . . . . 0.0 112.203 173.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.9 tpp85 -57.45 -39.16 75.72 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.241 1.416 . . . . 0.0 111.105 172.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.9 m -60.91 -25.12 66.51 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 171.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mt -87.81 -14.26 40.04 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.511 1.124 . . . . 0.0 113.443 171.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.54 31.14 22.51 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.773 1.178 . . . . 0.0 114.648 -171.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.3 168.47 23.96 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.435 1.617 . . . . 0.0 114.294 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.8 mt -74.62 149.34 40.07 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.045 1.338 . . . . 0.0 112.542 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.63 140.45 15.02 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.365 0.983 . . . . 0.0 111.01 167.162 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -137.89 123.27 19.49 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.077 1.351 . . . . 0.0 111.65 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.5 t -86.52 120.3 27.69 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.524 1.13 . . . . 0.0 110.762 174.564 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.8 mt -140.13 132.48 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.577 1.551 . . . . 0.0 108.217 172.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.89 42.39 78.67 Favored Glycine 0 CA--C 1.529 0.939 0 CA-C-N 118.198 0.454 . . . . 0.0 113.225 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 62.33 10.77 4.09 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -144.7 151.98 39.73 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 120.598 -1.314 . . . . 0.0 112.083 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.0 t -109.98 141.24 43.04 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -169.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -138.59 148.12 43.77 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.698 1.999 . . . . 0.0 110.139 -173.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.0 m -89.03 136.93 32.75 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.538 0.608 . . . . 0.0 112.212 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -144.23 125.7 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.814 1.245 . . . . 0.0 112.643 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 . . . . . 0 C--O 1.255 1.345 0 C-N-CA 126.648 1.979 . . . . 0.0 112.731 177.233 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -68.35 147.76 51.68 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 122.173 0.987 . . . . 0.0 113.397 -170.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.3 t -51.31 127.49 19.78 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.696 1.998 . . . . 0.0 112.274 -173.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -122.65 107.73 12.29 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.579 1.152 . . . . 0.0 109.863 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.21 -51.27 11.23 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.593 1.557 . . . . 0.0 113.521 -168.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.4 mmm-85 -58.74 -39.94 82.37 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 119.519 1.054 . . . . 0.0 112.558 -172.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 35.1 mmm-85 -70.28 -31.6 69.03 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 126.547 1.939 . . . . 0.0 113.932 173.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.6 t -78.09 -42.71 31.22 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.023 1.329 . . . . 0.0 112.58 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -56.76 -33.92 67.06 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.587 1.155 . . . . 0.0 112.273 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 mt -55.56 -39.28 70.44 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 122.574 1.178 . . . . 0.0 112.641 174.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.9 t -80.62 -37.68 30.65 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 126.032 1.733 . . . . 0.0 110.203 -174.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.1 m -72.46 -32.18 66.05 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.398 -0.814 . . . . 0.0 112.536 173.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -55.81 -35.87 66.81 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.578 1.551 . . . . 0.0 111.827 170.274 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.9 p -66.46 -17.08 64.59 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 174.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.1 mt -94.53 -23.1 17.82 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.492 1.517 . . . . 0.0 112.654 172.643 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.92 40.83 8.48 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.564 1.078 . . . . 0.0 113.39 -170.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.69 170.8 19.36 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.081 1.352 . . . . 0.0 112.951 175.146 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.7 mt -76.08 157.69 32.63 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.362 1.065 . . . . 0.0 113.561 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.0 129.24 8.81 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 126.027 1.775 . . . . 0.0 111.26 168.138 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -149.3 164.65 34.25 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.735 1.214 . . . . 0.0 112.3 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.6 m -74.1 136.74 42.99 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -173.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.3 mt -142.44 103.9 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.795 1.238 . . . . 0.0 108.678 169.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.7 49.78 22.45 Favored Glycine 0 CA--C 1.538 1.486 0 O-C-N 121.453 -0.78 . . . . 0.0 114.655 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 61.39 15.04 6.23 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 126.455 1.902 . . . . 0.0 116.038 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -141.14 149.47 41.57 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.51 1.524 . . . . 0.0 109.347 170.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.8 t -74.36 148.12 41.55 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.18 -0.95 . . . . 0.0 113.413 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -143.75 148.18 35.27 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.21 2.204 . . . . 0.0 109.473 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.1 m -86.62 138.67 31.49 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.909 -0.495 . . . . 0.0 112.312 176.054 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.7 m -146.51 136.72 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.357 1.463 . . . . 0.0 113.324 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 . . . . . 0 C--O 1.255 1.377 0 C-N-CA 126.554 1.942 . . . . 0.0 113.679 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.707 0 CA-C-O 120.534 0.207 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -92.34 157.41 16.64 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.544 1.538 . . . . 0.0 112.661 177.869 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.8 t -60.04 134.57 57.17 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.176 0.99 . . . . 0.0 112.701 173.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -84.86 59.35 5.52 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.863 1.665 . . . . 0.0 112.881 -173.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.8 tp -64.12 -46.19 85.28 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -168.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -60.27 -43.93 95.76 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 120.191 1.36 . . . . 0.0 112.798 -175.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -66.31 -31.5 72.33 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.889 1.275 . . . . 0.0 113.156 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.5 t -68.37 -58.67 4.01 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.453 0.701 . . . . 0.0 110.253 169.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -51.42 -43.34 61.97 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.112 1.765 . . . . 0.0 114.366 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -69.33 -33.94 73.89 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.647 0.658 . . . . 0.0 112.449 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 t -73.5 -36.25 65.73 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.146 0.978 . . . . 0.0 111.864 176.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.7 m -64.78 -37.18 86.74 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.195 0.998 . . . . 0.0 111.07 171.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -63.09 -28.38 70.03 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.227 1.011 . . . . 0.0 113.45 174.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.0 m -64.13 -33.25 75.35 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.122 0.874 . . . . 0.0 112.559 170.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.6 mt -76.42 -40.79 49.73 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.552 -0.718 . . . . 0.0 111.198 170.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.36 14.5 8.22 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 126.252 1.882 . . . . 0.0 114.55 -172.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.27 168.85 9.48 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.177 1.391 . . . . 0.0 111.051 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 mt -83.45 159.39 21.77 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.329 1.052 . . . . 0.0 110.245 171.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.2 146.97 17.8 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 123.762 0.696 . . . . 0.0 111.828 169.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -144.99 135.31 24.13 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 118.31 1.055 . . . . 0.0 112.331 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.4 m -70.95 131.04 43.12 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.158 0.983 . . . . 0.0 112.128 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.4 tt -148.31 117.31 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 126.114 1.766 . . . . 0.0 109.684 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.23 35.72 91.95 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.272 0.939 . . . . 0.0 114.378 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 63.2 2.0 1.02 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 127.038 2.135 . . . . 0.0 115.434 -170.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -106.75 -170.89 1.79 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.589 1.956 . . . . 0.0 108.958 168.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.6 t -144.54 151.94 39.83 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 120.435 -1.416 . . . . 0.0 111.888 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -138.0 161.35 36.95 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.439 1.096 . . . . 0.0 111.163 169.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.1 m -92.33 140.76 29.27 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.889 0.875 . . . . 0.0 112.418 173.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.4 m -144.29 136.54 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 126.176 1.79 . . . . 0.0 111.449 -175.516 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . 0.252 0.0 OUTLIER . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.257 1.823 . . . . 0.0 111.925 -176.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -65.19 147.23 53.82 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.245 1.018 . . . . 0.0 113.711 -174.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.4 t -62.12 137.41 58.25 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.767 2.027 . . . . 0.0 112.548 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -96.72 90.74 5.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.94 1.296 . . . . 0.0 110.045 175.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.87 -45.21 86.97 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.986 0.914 . . . . 0.0 112.779 -175.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.5 mmm-85 -59.64 -45.13 92.92 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.542 1.065 . . . . 0.0 110.98 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -58.92 -32.27 69.41 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.901 0.88 . . . . 0.0 112.919 172.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.3 t -75.41 -39.91 58.43 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.467 -0.77 . . . . 0.0 111.955 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -55.36 -40.15 70.94 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.681 -0.676 . . . . 0.0 111.761 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.64 -43.56 93.27 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.232 1.413 . . . . 0.0 112.293 175.282 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 t -65.55 -43.63 89.3 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.623 1.169 . . . . 0.0 110.818 -176.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.1 m -72.85 -37.75 67.29 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.701 -0.625 . . . . 0.0 111.753 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -57.2 -34.15 68.23 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.127 0.971 . . . . 0.0 111.431 169.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.2 m -73.97 -4.32 34.49 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.432 1.493 . . . . 0.0 114.427 173.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 mt -102.52 -25.74 13.49 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.153 1.381 . . . . 0.0 112.167 167.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.73 22.59 6.59 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 126.326 1.917 . . . . 0.0 115.055 -172.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.04 174.89 11.82 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.172 1.486 . . . . 0.0 114.775 -173.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.3 mt -83.69 171.26 13.41 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.267 1.427 . . . . 0.0 112.167 176.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.65 159.97 23.36 Favored Glycine 0 N--CA 1.472 1.079 0 C-N-CA 124.837 1.208 . . . . 0.0 114.264 175.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -151.68 138.89 19.27 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.604 1.562 . . . . 0.0 112.234 173.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.6 m -72.89 134.31 44.76 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.764 -0.585 . . . . 0.0 110.604 172.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.3 mt -131.95 83.62 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 177.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.09 -138.06 20.11 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.516 1.055 . . . . 0.0 111.359 -167.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -83.28 9.81 9.94 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -142.83 154.1 43.85 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 120.609 -1.307 . . . . 0.0 110.129 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.8 t -102.48 144.84 30.41 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 124.141 0.976 . . . . 0.0 111.899 -176.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -117.99 130.84 56.43 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.813 1.245 . . . . 0.0 109.821 171.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.0 m -77.35 136.7 38.47 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.074 0.55 . . . . 0.0 110.293 171.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.1 m -131.61 123.21 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.57 1.548 . . . . 0.0 111.044 -176.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 . . . . . 0 C--O 1.252 1.226 0 C-N-CA 128.392 2.677 . . . . 0.0 115.86 -169.286 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 119.098 -0.477 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -71.28 144.29 50.05 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 118.872 0.76 . . . . 0.0 112.922 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.9 p -69.97 136.12 50.13 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.523 0.729 . . . . 0.0 111.552 169.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -85.61 61.04 6.61 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.793 1.637 . . . . 0.0 110.75 -176.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.66 -46.13 91.5 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.885 1.674 . . . . 0.0 114.047 -169.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -66.79 -41.35 87.75 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 121.07 -1.019 . . . . 0.0 112.687 -173.66 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -66.69 -31.97 72.97 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.48 1.112 . . . . 0.0 112.783 170.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.0 t -69.15 -45.47 70.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.828 1.251 . . . . 0.0 112.284 175.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -54.83 -41.76 71.08 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.761 -1.212 . . . . 0.0 111.908 173.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.2 tp -67.88 -30.91 70.39 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.675 1.99 . . . . 0.0 112.644 176.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.4 t -70.19 -48.29 57.8 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.396 -0.815 . . . . 0.0 111.567 170.105 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.9 m -65.33 -30.57 71.42 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.207 -0.933 . . . . 0.0 112.326 -177.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -51.52 -32.81 29.24 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.614 1.566 . . . . 0.0 112.817 169.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.2 t -63.69 -34.06 77.02 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.017 0.927 . . . . 0.0 112.982 176.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -78.93 -21.6 47.03 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.502 1.121 . . . . 0.0 112.42 173.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.17 31.06 15.1 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.366 1.46 . . . . 0.0 114.343 -170.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.56 168.37 19.93 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.369 1.068 . . . . 0.0 112.805 177.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -83.3 157.16 22.72 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.117 0.967 . . . . 0.0 112.825 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -109.21 145.09 16.6 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.904 1.24 . . . . 0.0 112.616 172.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -135.6 138.25 42.74 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.981 1.313 . . . . 0.0 112.775 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.2 t -72.27 135.05 45.9 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.392 1.077 . . . . 0.0 111.872 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.7 mt -124.54 78.78 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 125.709 1.604 . . . . 0.0 108.916 172.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.82 -89.59 0.24 Allowed Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.698 1.142 . . . . 0.0 112.357 -173.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -119.4 -8.03 10.11 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.872 1.669 . . . . 0.0 113.607 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -86.88 164.29 16.68 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.78 1.632 . . . . 0.0 110.055 168.262 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.6 t -143.37 129.66 19.88 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 120.995 -1.066 . . . . 0.0 111.477 168.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -123.02 141.88 51.47 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.45 1.5 . . . . 0.0 111.104 -170.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.4 m -84.66 139.74 31.82 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.032 0.533 . . . . 0.0 111.114 172.099 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.8 m -135.36 124.08 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 CA-C-O 121.774 0.797 . . . . 0.0 112.163 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.527 0 C-N-CA 126.885 2.074 . . . . 0.0 111.098 175.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -60.08 158.18 11.62 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -168.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.6 p -59.86 134.44 57.03 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.735 0.814 . . . . 0.0 111.204 174.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -83.15 53.01 2.33 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.564 1.145 . . . . 0.0 112.388 -173.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -51.33 -50.02 60.25 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.145 1.378 . . . . 0.0 114.497 -168.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -71.71 -38.91 70.47 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 121.225 -0.922 . . . . 0.0 111.914 -173.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -73.75 -28.93 61.94 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.829 1.251 . . . . 0.0 113.032 174.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.8 t -66.81 -54.66 20.25 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 126.058 1.743 . . . . 0.0 110.322 171.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -50.25 -52.59 34.9 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.32 1.048 . . . . 0.0 112.581 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 pp -64.55 -30.72 71.75 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.728 0.695 . . . . 0.0 112.442 -177.402 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.2 m -75.41 -40.96 57.13 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.339 1.056 . . . . 0.0 112.702 175.585 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.1 m -67.02 -38.09 85.31 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.393 1.077 . . . . 0.0 111.557 176.519 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -65.23 -30.19 71.05 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.212 1.405 . . . . 0.0 112.84 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -64.65 -37.87 89.05 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 169.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.1 mt -71.92 -13.9 61.78 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 120.904 -1.122 . . . . 0.0 113.05 171.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.06 22.54 48.47 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.836 1.207 . . . . 0.0 114.758 -174.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -109.75 -168.82 1.37 Allowed 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.821 1.311 . . . . 0.0 109.88 170.838 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.3 mt -115.39 169.86 8.83 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.977 1.711 . . . . 0.0 108.8 166.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.94 148.46 18.9 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 124.121 0.867 . . . . 0.0 114.275 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -140.63 130.64 24.69 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 127.033 2.133 . . . . 0.0 111.66 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.6 t -82.21 133.03 35.24 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.051 0.94 . . . . 0.0 111.974 171.356 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.3 pt -116.96 -161.31 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 C-N-CA 128.176 2.59 . . . . 0.0 109.938 175.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.18 94.4 0.06 OUTLIER Glycine 0 CA--C 1.539 1.593 0 O-C-N 120.796 -1.19 . . . . 0.0 114.221 176.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 57.56 20.99 6.66 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 128.774 2.83 . . . . 0.0 116.793 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -149.53 168.26 24.0 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.585 -1.322 . . . . 0.0 111.032 167.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.0 t -122.4 138.24 54.6 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.142 -0.974 . . . . 0.0 111.801 174.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -126.53 161.68 27.42 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.006 1.323 . . . . 0.0 111.071 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.3 m -86.53 156.58 20.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.035 0.445 . . . . 0.0 112.197 174.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -154.12 130.09 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 126.38 1.872 . . . . 0.0 109.606 -176.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--O 1.252 1.199 0 C-N-CA 124.874 1.269 . . . . 0.0 112.339 177.934 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -73.83 156.01 38.2 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -170.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.9 p -80.64 132.39 35.59 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.468 1.107 . . . . 0.0 111.137 169.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -91.06 78.24 5.95 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.491 1.516 . . . . 0.0 111.706 -174.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.2 tp -67.72 -40.38 84.26 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 -169.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -64.38 -44.6 90.84 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.355 0.98 . . . . 0.0 112.274 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -69.77 -33.09 71.93 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.415 1.086 . . . . 0.0 112.418 175.41 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.4 t -65.23 -51.2 62.43 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.786 0.834 . . . . 0.0 111.755 173.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.36 -46.45 69.57 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.115 0.966 . . . . 0.0 112.09 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.0 tp -67.07 -27.91 67.76 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.451 1.9 . . . . 0.0 112.631 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.8 t -80.47 -36.91 32.81 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.4 1.48 . . . . 0.0 113.075 172.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.2 m -69.81 -30.22 67.7 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.061 -1.024 . . . . 0.0 111.922 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -59.93 -24.96 64.77 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.001 0.92 . . . . 0.0 112.561 174.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.6 m -66.06 -27.1 67.83 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.692 1.197 . . . . 0.0 113.37 172.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -85.69 -18.22 33.77 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.522 1.129 . . . . 0.0 112.205 169.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.56 31.11 19.73 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.433 1.492 . . . . 0.0 113.988 -172.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.54 167.74 21.5 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.579 1.19 . . . . 0.0 114.156 177.607 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.9 mt -72.72 160.34 32.36 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.546 1.538 . . . . 0.0 113.189 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.36 142.91 15.19 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.86 1.695 . . . . 0.0 113.769 170.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -140.18 142.58 35.91 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.413 1.485 . . . . 0.0 113.567 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.1 t -73.68 140.05 45.8 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.433 1.093 . . . . 0.0 112.665 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.9 pt -118.61 7.6 6.82 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 C-N-CA 126.809 2.044 . . . . 0.0 114.424 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.95 -99.65 0.26 Allowed Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.922 1.725 . . . . 0.0 111.417 -175.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -101.11 4.02 41.78 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.481 1.512 . . . . 0.0 112.887 171.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -129.81 172.5 11.6 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 126.714 2.005 . . . . 0.0 111.782 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 46.1 t -142.44 135.89 28.92 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.881 0.872 . . . . 0.0 111.751 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -119.65 143.16 47.86 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 127.519 2.327 . . . . 0.0 109.873 -169.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 11.0 m -88.96 144.73 25.97 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.131 0.423 . . . . 0.0 111.936 174.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.54 128.5 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.893 1.277 . . . . 0.0 112.624 -178.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.186 1.794 . . . . 0.0 112.456 -179.545 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 120.657 0.265 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -89.64 172.7 8.76 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.148 1.379 . . . . 0.0 112.879 177.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.2 p -66.78 154.67 40.22 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 -169.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -75.15 150.1 38.83 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.655 1.982 . . . . 0.0 113.715 -175.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 tt -128.51 -67.26 0.8 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.364 1.066 . . . . 0.0 111.869 -173.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -59.04 -43.73 91.69 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 119.979 1.263 . . . . 0.0 112.109 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -69.66 -25.31 63.84 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 175.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.5 t -70.99 -52.27 20.66 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.438 0.695 . . . . 0.0 110.541 170.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -53.54 -50.81 64.69 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.187 0.995 . . . . 0.0 112.54 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -29.95 70.74 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.546 -0.721 . . . . 0.0 112.906 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.9 t -67.38 -32.81 73.97 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.306 1.043 . . . . 0.0 112.729 171.335 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.3 m -78.35 -27.01 46.94 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 118.744 -0.646 . . . . 0.0 112.503 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.5 mmt-85 -57.84 -31.86 67.07 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.805 1.184 . . . . 0.0 112.541 168.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.6 m -65.39 -18.93 65.7 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 173.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.8 mt -95.83 -26.55 15.59 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.66 1.184 . . . . 0.0 111.961 168.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.45 26.59 8.59 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 127.253 2.359 . . . . 0.0 115.111 -175.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.53 177.72 7.39 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.665 1.586 . . . . 0.0 113.355 -176.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.5 mt -75.69 164.03 26.69 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.211 1.804 . . . . 0.0 111.831 168.671 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.32 142.79 13.85 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.277 0.941 . . . . 0.0 114.281 174.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -141.3 150.92 43.16 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.496 1.918 . . . . 0.0 111.129 174.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.8 t -78.91 127.47 32.05 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.565 -0.709 . . . . 0.0 110.724 168.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.8 mm -133.73 122.91 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 126.742 2.017 . . . . 0.0 108.035 177.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.3 44.26 96.66 Favored Glycine 0 CA--C 1.536 1.372 0 O-C-N 121.425 -0.797 . . . . 0.0 114.052 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 67.79 13.91 9.32 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 125.957 1.703 . . . . 0.0 115.564 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -139.4 156.52 46.93 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 127.183 2.193 . . . . 0.0 111.776 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.6 t -64.85 138.26 58.27 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.02 -1.05 . . . . 0.0 112.887 171.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -136.74 129.54 30.66 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 128.181 2.592 . . . . 0.0 108.634 169.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 55.7 m -86.68 146.59 26.24 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.562 -0.711 . . . . 0.0 111.68 174.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.7 m -141.26 132.11 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 124.202 1.001 . . . . 0.0 113.375 -169.635 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 C--O 1.251 1.164 0 C-N-CA 123.973 0.909 . . . . 0.0 110.7 167.347 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.802 0 CA-C-O 121.481 0.658 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -83.74 171.1 13.51 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.187 0.995 . . . . 0.0 110.201 166.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 t -55.94 126.66 26.78 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.511 1.124 . . . . 0.0 111.679 169.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -76.49 58.85 1.39 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.356 1.863 . . . . 0.0 111.496 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.12 -49.36 76.19 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.243 1.817 . . . . 0.0 113.88 -168.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -63.51 -43.11 98.16 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.745 1.157 . . . . 0.0 113.68 -172.205 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -71.93 -29.14 63.98 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.075 0.95 . . . . 0.0 112.886 174.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.6 t -66.51 -58.01 6.11 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.6 0.76 . . . . 0.0 110.206 172.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.59 -47.44 73.33 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.155 1.382 . . . . 0.0 113.203 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 pp -63.11 -33.95 76.56 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.227 0.921 . . . . 0.0 111.662 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.3 m -68.19 -45.91 72.1 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.38 0.672 . . . . 0.0 111.702 172.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.9 m -61.0 -42.79 99.13 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.287 1.035 . . . . 0.0 112.212 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -67.05 -25.47 66.27 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 125.152 1.381 . . . . 0.0 112.167 -177.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.4 p -65.43 -27.75 68.75 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 170.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt -87.38 -14.04 41.75 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.929 1.292 . . . . 0.0 113.118 174.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.92 15.67 55.87 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.837 1.208 . . . . 0.0 114.904 -174.204 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.19 174.14 6.39 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.156 1.383 . . . . 0.0 111.117 176.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.5 mt -107.3 148.32 29.14 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.462 1.105 . . . . 0.0 111.645 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.77 144.33 17.11 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.121 0.867 . . . . 0.0 113.01 175.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -144.23 145.17 31.89 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.205 1.002 . . . . 0.0 112.73 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.3 m -81.78 104.31 12.07 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.524 1.13 . . . . 0.0 111.198 176.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.5 mt -89.1 58.87 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.368 1.467 . . . . 0.0 108.235 175.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.5 -135.01 12.25 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 125.322 1.439 . . . . 0.0 111.274 -167.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.477 ' H ' ' CD ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -78.82 -4.62 50.43 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.522 1.529 . . . . 0.0 113.801 177.407 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -118.56 142.11 47.93 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.208 2.203 . . . . 0.0 110.942 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.5 t -111.02 145.19 38.9 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.212 1.005 . . . . 0.0 112.788 -175.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -139.05 143.52 38.42 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.445 1.098 . . . . 0.0 112.009 176.451 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.9 m -85.81 133.85 33.96 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.134 0.973 . . . . 0.0 111.989 171.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.22 134.15 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 N-CA-C 115.243 1.571 . . . . 0.0 115.243 -173.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 127.032 2.133 . . . . 0.0 111.619 168.332 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.585 0 CA-C-O 120.306 0.098 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -89.57 161.8 15.99 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.058 0.943 . . . . 0.0 111.01 169.032 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.9 p -73.58 129.76 38.63 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.218 -0.926 . . . . 0.0 110.448 169.513 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -85.14 69.23 10.75 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.547 1.539 . . . . 0.0 110.584 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.98 -45.08 95.21 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.933 1.293 . . . . 0.0 113.319 -170.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.39 -49.47 73.71 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.341 0.973 . . . . 0.0 113.014 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -56.03 -35.43 66.87 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.851 0.86 . . . . 0.0 112.06 172.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.1 t -71.43 -53.09 15.18 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.731 1.212 . . . . 0.0 111.892 177.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -54.18 -44.99 72.0 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.701 1.591 . . . . 0.0 112.579 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.34 -25.6 62.46 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 122.707 0.403 . . . . 0.0 111.844 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.6 t -71.38 -45.31 63.16 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.773 0.829 . . . . 0.0 111.664 168.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.7 m -65.26 -23.45 67.05 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.729 1.612 . . . . 0.0 112.302 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -56.31 -33.44 65.57 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.747 1.219 . . . . 0.0 112.616 170.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.6 p -71.4 -5.58 33.81 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 175.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.6 mt -105.05 -16.7 14.73 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.376 1.47 . . . . 0.0 111.875 168.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.78 21.89 27.39 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.117 1.341 . . . . 0.0 115.236 -175.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.08 171.69 14.51 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.392 1.077 . . . . 0.0 113.66 -173.788 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.6 mt -81.55 170.37 15.96 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.602 1.161 . . . . 0.0 112.58 176.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.3 141.68 15.95 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.285 1.422 . . . . 0.0 111.879 173.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -120.79 129.96 53.8 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.114 2.166 . . . . 0.0 110.908 -174.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.2 t -73.98 131.2 41.17 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.751 0.82 . . . . 0.0 112.43 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.7 mt -123.92 75.59 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 127.166 2.186 . . . . 0.0 108.703 176.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.38 -98.4 0.66 Allowed Glycine 0 CA--C 1.531 1.059 0 C-N-CA 124.475 1.036 . . . . 0.0 113.613 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 pm0 -99.51 -1.84 37.38 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.26 1.424 . . . . 0.0 113.944 174.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -123.75 173.81 7.9 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.055 1.342 . . . . 0.0 111.321 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.7 t -143.24 148.29 36.19 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 121.161 -0.962 . . . . 0.0 111.522 173.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -137.37 137.43 38.86 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.156 1.382 . . . . 0.0 110.946 -172.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.8 m -78.96 135.47 36.95 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.905 -0.497 . . . . 0.0 112.129 -177.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.5 m -131.95 125.29 54.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.53 1.132 . . . . 0.0 112.807 -173.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 128.532 2.733 . . . . 0.0 114.474 178.614 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.64 0 CA-C-O 120.978 0.418 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -80.0 162.3 24.96 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.222 1.409 . . . . 0.0 112.922 -176.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.6 p -57.49 135.52 56.62 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.897 1.279 . . . . 0.0 113.297 173.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -75.69 67.64 2.17 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.782 2.033 . . . . 0.0 111.122 -176.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.9 tp -58.04 -37.98 75.41 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.335 -1.478 . . . . 0.0 113.274 -173.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -64.89 -22.39 66.99 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.248 1.019 . . . . 0.0 113.176 177.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -93.82 -21.87 19.01 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.616 1.566 . . . . 0.0 113.081 173.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 51.8 t -71.73 -44.95 63.22 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.371 1.069 . . . . 0.0 111.532 169.675 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.12 -49.47 73.8 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.912 0.885 . . . . 0.0 112.252 174.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.66 -25.44 64.82 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.343 -0.848 . . . . 0.0 113.173 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.7 t -69.91 -51.21 34.93 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.877 1.271 . . . . 0.0 111.337 172.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.2 m -68.14 -25.48 65.3 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.132 -0.98 . . . . 0.0 113.038 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -59.67 -18.23 40.42 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 168.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.6 t -61.36 -34.22 74.95 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.284 0.947 . . . . 0.0 112.711 169.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.0 mt -83.95 -34.57 24.41 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.34 1.056 . . . . 0.0 111.142 168.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.23 3.94 31.08 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 126.328 1.918 . . . . 0.0 114.484 -176.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.06 173.38 7.07 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.187 1.395 . . . . 0.0 111.333 176.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 pp -75.59 154.16 36.9 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.13 0.972 . . . . 0.0 112.12 170.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.93 140.72 15.04 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 124.875 1.226 . . . . 0.0 111.307 169.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -135.58 137.71 42.25 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.174 1.389 . . . . 0.0 109.601 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.3 t -88.19 122.32 31.61 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.5 0.667 . . . . 0.0 110.58 173.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.8 mm -89.85 65.63 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 124.66 1.184 . . . . 0.0 108.904 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.83 -46.19 1.41 Allowed Glycine 0 CA--C 1.536 1.353 0 C-N-CA 126.625 2.06 . . . . 0.0 115.06 -175.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -140.65 -13.79 0.97 Allowed 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 -175.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -137.78 145.32 42.24 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 120.992 -1.067 . . . . 0.0 111.926 -170.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 29.0 t -80.72 136.41 36.16 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.575 1.15 . . . . 0.0 113.204 -175.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -138.99 143.53 38.54 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.406 1.483 . . . . 0.0 110.307 169.509 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.8 m -97.12 141.46 30.22 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.794 0.838 . . . . 0.0 111.158 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.0 m -141.36 141.35 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 . . . . . 0 C--O 1.252 1.23 0 C-N-CA 127.287 2.235 . . . . 0.0 115.227 -173.284 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -71.41 148.74 46.63 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.671 0.788 . . . . 0.0 112.643 174.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 48.9 t -82.57 135.16 35.15 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.906 0.882 . . . . 0.0 112.595 172.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -84.09 68.55 10.12 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.093 1.757 . . . . 0.0 112.244 173.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.48 -42.59 96.59 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 120.995 -1.066 . . . . 0.0 112.157 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -66.48 -50.52 63.02 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 -65.67 -18.74 65.54 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 175.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.4 t -81.44 -55.76 4.48 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.482 1.113 . . . . 0.0 112.794 170.331 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -52.96 -41.39 64.49 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.558 1.543 . . . . 0.0 113.017 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 pp -61.49 -32.88 72.92 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.396 0.544 . . . . 0.0 112.394 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.6 p -71.74 -43.83 65.15 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.433 -0.792 . . . . 0.0 112.076 174.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.1 m -60.92 -29.71 69.76 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.75 0.82 . . . . 0.0 110.811 175.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -34.72 76.88 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.612 1.165 . . . . 0.0 112.628 173.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.9 t -64.24 -36.38 83.9 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.849 0.86 . . . . 0.0 111.814 173.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -77.64 -19.51 55.34 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.137 0.975 . . . . 0.0 112.547 174.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.13 27.32 40.94 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 125.445 1.498 . . . . 0.0 114.685 -176.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.62 170.91 15.29 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.128 1.771 . . . . 0.0 112.715 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.4 mt -79.4 152.19 30.5 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.959 1.304 . . . . 0.0 113.875 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.74 147.23 17.42 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 125.762 1.649 . . . . 0.0 112.472 168.641 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -141.74 132.0 24.98 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.5 1.52 . . . . 0.0 111.375 -175.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.5 m -75.17 130.5 39.29 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.484 -0.76 . . . . 0.0 111.668 172.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.9 mt -126.08 72.72 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.647 1.579 . . . . 0.0 107.239 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.93 -147.56 30.75 Favored Glycine 0 CA--C 1.537 1.432 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 -165.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.0 pm0 -69.74 3.78 2.33 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 -173.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -141.32 152.32 44.34 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.802 1.641 . . . . 0.0 111.647 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.8 t -105.63 155.78 18.89 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.04 1.336 . . . . 0.0 113.268 -177.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -143.88 146.1 32.77 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.276 2.231 . . . . 0.0 109.96 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 m -83.54 150.87 25.69 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.526 0.731 . . . . 0.0 112.517 178.262 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 m -144.39 130.56 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.923 1.689 . . . . 0.0 111.665 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 . . . . . 0 C--O 1.255 1.355 0 C-N-CA 125.165 1.386 . . . . 0.0 112.433 175.582 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.978 0 CA-C-O 119.188 -0.435 . . . . 0.0 111.423 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -53.55 135.02 40.87 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.042 1.337 . . . . 0.0 113.505 -174.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.8 p -74.4 146.28 43.07 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 -169.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -72.06 50.68 0.21 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 128.474 2.709 . . . . 0.0 114.169 174.241 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.76 -50.85 71.88 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.758 1.223 . . . . 0.0 114.193 -169.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -57.79 -43.08 85.38 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.995 1.271 . . . . 0.0 112.598 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 50.8 mmm-85 -71.17 -25.3 62.48 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.595 1.158 . . . . 0.0 113.417 176.759 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 t -76.95 -49.32 15.79 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.982 0.913 . . . . 0.0 112.769 173.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -53.99 -40.39 66.88 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 118.788 0.722 . . . . 0.0 112.161 -178.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -70.92 -24.26 62.42 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.3 t -70.6 -48.94 52.62 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.222 -0.924 . . . . 0.0 111.476 171.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.7 m -64.15 -31.1 72.18 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.271 1.028 . . . . 0.0 112.521 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -53.56 -32.03 49.08 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.072 1.749 . . . . 0.0 112.601 173.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.2 p -71.19 -32.42 68.85 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.5 mt -76.67 -26.66 55.04 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.124 0.97 . . . . 0.0 111.502 177.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.55 24.3 11.22 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 125.792 1.663 . . . . 0.0 114.579 -174.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.11 167.13 22.93 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.08 1.352 . . . . 0.0 112.697 -178.077 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 38.3 mt -82.68 151.0 26.45 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.642 0.777 . . . . 0.0 112.612 -177.606 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.49 127.85 9.3 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 168.409 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -124.45 122.85 38.78 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 118.121 0.961 . . . . 0.0 110.793 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.2 t -85.15 109.39 18.25 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.335 1.054 . . . . 0.0 111.378 176.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.2 mt -140.37 121.37 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 124.889 1.276 . . . . 0.0 108.833 -177.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.23 31.14 35.26 Favored Glycine 0 CA--C 1.536 1.354 0 O-C-N 121.721 -0.612 . . . . 0.0 113.508 -171.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 58.91 34.21 23.5 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.211 1.804 . . . . 0.0 112.294 -176.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -156.5 138.49 14.45 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.586 1.554 . . . . 0.0 110.336 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.4 t -98.26 137.27 37.25 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -137.23 139.12 40.82 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 127.222 2.209 . . . . 0.0 109.276 -175.57 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.2 m -81.83 128.34 33.92 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.178 0.591 . . . . 0.0 111.245 178.175 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.6 m -144.8 143.35 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.886 1.674 . . . . 0.0 113.086 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 127.949 2.499 . . . . 0.0 115.465 179.905 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.588 0 CA-C-O 120.628 0.252 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -76.57 175.42 9.29 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.461 1.104 . . . . 0.0 111.86 170.071 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.5 p -51.58 137.8 23.91 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.052 0.941 . . . . 0.0 112.923 175.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -75.23 58.5 0.94 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.933 2.093 . . . . 0.0 112.859 -170.355 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.2 tp -59.16 -33.66 71.18 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.837 1.655 . . . . 0.0 113.686 -171.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -42.01 76.2 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 120.292 1.405 . . . . 0.0 112.563 176.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -67.99 -30.33 69.56 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.988 1.315 . . . . 0.0 112.019 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.0 t -71.64 -52.27 18.86 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.339 1.056 . . . . 0.0 111.969 169.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -53.61 -39.11 64.66 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.602 1.161 . . . . 0.0 112.416 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -69.97 -34.6 73.59 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.32 0.964 . . . . 0.0 113.035 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.4 m -68.75 -34.73 76.08 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.797 0.726 . . . . 0.0 112.897 173.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.9 m -77.06 -30.42 55.57 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.603 -0.685 . . . . 0.0 111.721 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.6 ttp85 -57.43 -36.03 70.84 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.8 1.24 . . . . 0.0 112.879 173.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.2 m -63.49 -35.85 81.81 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.05 0.54 . . . . 0.0 112.327 173.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt -72.87 -28.3 62.43 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.125 0.875 . . . . 0.0 112.852 173.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.22 34.99 7.75 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.831 1.205 . . . . 0.0 113.447 -171.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.68 166.99 23.62 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.505 1.122 . . . . 0.0 111.917 175.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.1 mt -74.66 160.33 30.95 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.961 0.904 . . . . 0.0 112.46 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.89 135.18 12.31 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.903 1.239 . . . . 0.0 110.782 169.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -137.96 142.37 40.51 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.416 1.487 . . . . 0.0 111.442 -177.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.0 t -91.1 134.22 34.7 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.833 1.253 . . . . 0.0 111.988 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.8 tt -150.4 103.57 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 125.154 1.382 . . . . 0.0 111.264 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.22 51.78 5.98 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.007 1.289 . . . . 0.0 114.397 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 64.6 14.48 9.02 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.899 1.68 . . . . 0.0 115.424 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -148.17 154.41 40.1 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.155 1.382 . . . . 0.0 110.648 171.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.6 t -115.38 139.32 50.11 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 124.779 1.231 . . . . 0.0 113.733 -173.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -127.6 168.26 15.24 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 127.565 2.346 . . . . 0.0 111.08 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.4 m -93.45 143.53 26.2 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.4 m -141.38 127.55 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.357 1.063 . . . . 0.0 112.556 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 . . . . . 0 C--O 1.252 1.237 0 C-N-CA 126.272 1.829 . . . . 0.0 112.352 170.073 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -59.82 149.67 30.55 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.539 0.685 . . . . 0.0 112.161 177.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.6 t -73.25 152.5 40.99 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.115 0.966 . . . . 0.0 111.055 175.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -118.61 103.95 10.18 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.0 1.32 . . . . 0.0 109.803 177.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.0 tp -56.2 -39.57 72.64 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.468 1.107 . . . . 0.0 113.729 -168.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -66.8 -35.53 80.27 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.41 -33.28 60.94 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.933 1.693 . . . . 0.0 112.365 176.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.6 t -64.9 -53.06 52.54 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.87 0.868 . . . . 0.0 110.824 170.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.61 -48.94 74.06 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.007 1.323 . . . . 0.0 113.417 177.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.14 -26.68 67.55 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.677 0.671 . . . . 0.0 112.528 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.0 m -74.81 -43.18 56.04 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.968 0.907 . . . . 0.0 112.032 173.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 57.6 m -67.49 -25.47 65.88 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.098 0.959 . . . . 0.0 112.411 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -33.41 23.3 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.994 1.718 . . . . 0.0 113.842 170.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.6 t -70.56 -33.4 71.06 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.849 0.86 . . . . 0.0 112.511 177.651 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.1 mt -74.83 -29.79 61.17 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.355 -0.841 . . . . 0.0 112.331 175.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.15 31.14 5.43 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 125.848 1.689 . . . . 0.0 114.411 -173.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.8 173.9 14.19 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -175.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.41 152.33 30.4 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.0 1.32 . . . . 0.0 113.322 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.55 149.36 18.38 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 125.121 1.343 . . . . 0.0 113.592 174.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -145.67 144.2 30.27 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.424 1.489 . . . . 0.0 112.385 178.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 92.9 m -89.82 133.66 34.61 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.376 1.07 . . . . 0.0 111.285 173.207 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.7 tt -154.85 132.09 2.27 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 126.199 1.799 . . . . 0.0 110.749 177.354 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.45 37.18 93.69 Favored Glycine 0 CA--C 1.542 1.739 0 O-C-N 120.529 -1.357 . . . . 0.0 114.609 176.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 59.19 29.33 18.87 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.558 1.543 . . . . 0.0 114.208 -172.058 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -147.76 149.96 33.36 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.24 -0.912 . . . . 0.0 113.317 177.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.1 t -77.35 141.6 39.77 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.088 1.355 . . . . 0.0 112.701 175.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -134.41 136.47 43.32 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.323 1.849 . . . . 0.0 109.913 169.013 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.8 m -97.84 139.86 33.07 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.115 0.566 . . . . 0.0 111.601 170.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.6 m -137.64 135.27 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 123.844 0.858 . . . . 0.0 113.107 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 . . . . . 0 C--O 1.254 1.315 0 C-N-CA 125.219 1.407 . . . . 0.0 112.9 176.414 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -78.91 144.7 34.62 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.834 0.853 . . . . 0.0 112.289 -176.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.1 t -57.73 153.4 13.64 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.314 1.446 . . . . 0.0 113.373 173.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -64.72 100.09 0.37 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.907 0.883 . . . . 0.0 110.647 168.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 61.7 tp -66.8 -44.99 79.79 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.07 1.348 . . . . 0.0 112.518 176.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -66.48 -40.91 89.59 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.33 -0.856 . . . . 0.0 112.57 -172.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -61.9 -25.83 67.8 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.678 1.191 . . . . 0.0 112.787 175.069 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.4 t -79.91 -51.8 8.66 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.881 1.272 . . . . 0.0 111.617 169.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -52.22 -43.29 64.19 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.59 -35.11 78.37 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.157 0.583 . . . . 0.0 112.495 179.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 t -70.65 -36.06 73.21 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.815 -0.553 . . . . 0.0 112.121 174.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.5 m -67.16 -30.96 71.07 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.322 -0.861 . . . . 0.0 112.314 172.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -59.94 -28.89 68.01 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.13 0.972 . . . . 0.0 112.316 174.314 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.3 m -64.42 -16.6 62.67 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.449 1.278 . . . . 0.0 114.449 173.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 mt -100.88 -14.76 17.81 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.712 1.205 . . . . 0.0 112.24 170.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.8 26.07 30.49 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.546 1.545 . . . . 0.0 114.813 -171.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.31 169.57 13.41 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.991 1.396 . . . . 0.0 113.307 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pp -88.0 158.99 18.48 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.238 1.015 . . . . 0.0 111.168 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -114.53 150.47 18.66 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.011 0.815 . . . . 0.0 114.255 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -141.26 150.35 42.49 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 128.16 2.584 . . . . 0.0 108.446 174.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.2 t -129.68 121.18 26.45 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.426 -0.796 . . . . 0.0 112.716 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.9 mt -135.03 133.91 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.35 1.06 . . . . 0.0 109.671 -175.364 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.78 44.36 96.36 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-O 119.257 -0.746 . . . . 0.0 112.812 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 63.39 3.23 1.35 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.31 2.244 . . . . 0.0 115.389 -172.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -123.31 133.29 54.16 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 120.865 -1.147 . . . . 0.0 113.799 -169.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.5 t -70.54 145.44 50.82 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.665 1.186 . . . . 0.0 113.463 178.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -140.86 145.05 35.69 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.047 1.739 . . . . 0.0 110.366 167.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.9 m -114.84 140.75 48.69 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.646 1.578 . . . . 0.0 111.743 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.7 m -139.13 137.77 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.983 0.913 . . . . 0.0 113.229 -178.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 . . . . . 0 C--O 1.262 1.747 0 C-N-CA 125.045 1.338 . . . . 0.0 110.469 169.423 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 110.619 -0.141 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -64.19 153.21 38.62 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -177.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.2 p -61.48 154.44 24.53 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.147 1.165 . . . . 0.0 114.147 -176.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -112.45 93.02 4.23 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.639 1.976 . . . . 0.0 111.64 -169.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.9 tp -68.08 -50.54 54.37 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -169.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.3 ttp85 -69.08 -28.66 66.71 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.84 -1.162 . . . . 0.0 112.924 -176.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -72.5 -30.56 64.61 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.291 1.037 . . . . 0.0 112.957 168.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.72 -47.76 71.3 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.461 0.573 . . . . 0.0 110.043 170.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -53.35 -50.39 65.13 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.204 1.001 . . . . 0.0 113.576 175.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.11 -29.79 67.94 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.584 0.629 . . . . 0.0 112.45 -178.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -72.17 -44.75 62.56 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.666 0.786 . . . . 0.0 111.853 174.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.1 m -65.15 -30.76 71.71 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.082 -1.012 . . . . 0.0 112.083 176.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -61.48 -23.57 65.98 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 118.093 -0.956 . . . . 0.0 112.83 176.188 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.5 p -61.42 -28.01 68.95 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.299 0.954 . . . . 0.0 113.232 170.718 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -84.32 -19.05 34.36 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.379 1.472 . . . . 0.0 112.927 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.11 22.1 18.46 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 125.716 1.626 . . . . 0.0 115.47 -172.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.79 169.03 21.38 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.151 1.38 . . . . 0.0 113.898 -174.07 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 pp -81.72 162.53 22.94 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.464 1.506 . . . . 0.0 113.499 -177.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -124.07 149.14 16.88 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.477 1.037 . . . . 0.0 115.431 176.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -139.11 159.97 40.89 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 127.343 2.257 . . . . 0.0 112.69 169.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.5 t -86.97 121.18 29.08 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.188 0.995 . . . . 0.0 111.357 170.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.2 mt -138.92 122.0 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 126.346 1.859 . . . . 0.0 108.48 -173.187 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.16 34.14 86.9 Favored Glycine 0 CA--C 1.537 1.458 0 O-C-N 121.228 -0.92 . . . . 0.0 114.035 -170.139 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 57.58 28.93 16.37 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 126.114 1.766 . . . . 0.0 115.244 -172.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -145.32 154.82 42.74 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.831 1.652 . . . . 0.0 110.855 172.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.8 t -62.19 142.13 57.82 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.732 -1.23 . . . . 0.0 113.4 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.1 tttt -141.06 141.05 34.32 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 126.749 2.02 . . . . 0.0 109.615 169.15 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.0 m -109.73 134.23 52.23 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.594 1.157 . . . . 0.0 111.685 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.8 m -133.33 135.37 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.332 1.053 . . . . 0.0 112.733 -177.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.537 1.535 . . . . 0.0 112.335 174.81 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.65 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -55.82 158.68 3.54 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.452 1.901 . . . . 0.0 113.651 176.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.6 p -72.38 136.56 46.14 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.716 0.77 . . . . 0.0 113.057 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -91.21 71.91 6.23 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.393 1.477 . . . . 0.0 108.868 174.583 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.6 tp -68.61 -42.45 78.13 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.069 0.947 . . . . 0.0 112.812 -169.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -44.01 89.64 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.256 0.935 . . . . 0.0 111.831 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -72.29 -27.08 62.23 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 173.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.2 -50.88 62.34 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.011 0.823 . . . . 0.0 110.824 171.585 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -56.7 -42.24 78.77 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.791 1.236 . . . . 0.0 113.833 -178.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -72.71 -28.63 62.78 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.044 0.386 . . . . 0.0 112.044 176.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.3 m -71.79 -39.79 69.66 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.383 0.673 . . . . 0.0 111.722 173.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.2 m -61.31 -28.9 69.54 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.804 1.241 . . . . 0.0 111.956 172.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -62.53 -22.25 66.16 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.873 0.869 . . . . 0.0 113.143 174.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.7 p -67.68 -30.55 70.11 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.218 0.917 . . . . 0.0 112.948 170.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 mt -75.89 -31.08 59.04 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.27 1.028 . . . . 0.0 111.09 169.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.99 13.1 7.97 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 127.157 2.313 . . . . 0.0 114.926 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.56 176.21 8.92 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -167.774 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 pp -85.18 167.18 15.94 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.461 1.504 . . . . 0.0 113.198 178.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -125.76 152.07 17.9 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.09 1.328 . . . . 0.0 114.241 176.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -138.18 132.23 31.56 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.454 1.902 . . . . 0.0 111.207 -173.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.5 t -79.7 133.21 36.35 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.236 1.014 . . . . 0.0 111.836 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.2 mm -96.54 -15.48 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 126.769 2.028 . . . . 0.0 112.251 -178.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.5 -77.89 0.21 Allowed Glycine 0 CA--C 1.526 0.774 0 C-N-CA 126.751 2.12 . . . . 0.0 110.185 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -104.97 -30.11 10.02 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.485 1.514 . . . . 0.0 112.126 169.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -92.63 171.18 9.17 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.601 1.161 . . . . 0.0 112.1 173.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 40.1 t -144.08 139.94 29.2 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.114 1.366 . . . . 0.0 110.902 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -121.21 152.53 38.71 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.426 1.491 . . . . 0.0 111.522 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 m -93.57 144.02 25.76 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.655 0.782 . . . . 0.0 111.715 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.1 m -139.03 136.62 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 . . . . . 0 C--O 1.254 1.327 0 C-N-CA 126.744 2.018 . . . . 0.0 115.305 -179.806 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.769 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -88.11 155.53 19.74 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.523 1.129 . . . . 0.0 113.038 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p -77.62 132.94 38.5 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.641 0.777 . . . . 0.0 111.351 169.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -71.49 52.42 0.2 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 127.792 2.437 . . . . 0.0 112.993 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.2 tp -58.37 -36.9 74.19 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.532 -1.355 . . . . 0.0 113.58 -169.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -64.86 -49.24 71.3 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.468 1.031 . . . . 0.0 111.533 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -71.93 -30.38 65.28 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.201 1.001 . . . . 0.0 112.402 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.5 t -65.02 -53.59 43.67 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.68 1.192 . . . . 0.0 111.062 171.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -55.53 -42.05 74.01 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 120.823 -1.173 . . . . 0.0 112.982 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 pp -72.9 -32.12 65.14 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 118.899 0.772 . . . . 0.0 112.3 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 64.6 m -66.02 -40.12 90.8 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.117 0.967 . . . . 0.0 112.19 172.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.8 m -73.02 -35.12 66.73 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.53 1.132 . . . . 0.0 112.124 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.7 ttm-85 -55.99 -31.33 62.94 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.304 1.041 . . . . 0.0 112.918 174.384 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.0 t -56.59 -40.99 76.22 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 172.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -79.54 -14.96 58.5 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.714 1.206 . . . . 0.0 113.264 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.8 18.65 50.66 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.628 1.108 . . . . 0.0 114.985 -173.137 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.8 165.91 17.16 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.817 1.309 . . . . 0.0 112.433 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 pp -83.67 153.81 24.02 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.268 1.027 . . . . 0.0 111.329 175.694 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.22 141.64 15.41 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 124.902 1.239 . . . . 0.0 111.808 169.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -137.32 131.84 32.78 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.575 1.15 . . . . 0.0 111.397 -174.636 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.3 t -82.23 130.72 35.16 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.364 1.065 . . . . 0.0 112.492 -176.328 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.4 mt -123.77 91.45 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 127.05 2.14 . . . . 0.0 108.07 176.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.18 -118.45 11.15 Favored Glycine 0 CA--C 1.532 1.136 0 O-C-N 121.382 -0.824 . . . . 0.0 112.65 -175.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.16 4.35 48.86 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.127 1.371 . . . . 0.0 113.649 171.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -111.02 161.67 15.64 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.84 1.656 . . . . 0.0 112.25 -178.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.5 t -138.41 139.93 39.13 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.356 -0.84 . . . . 0.0 111.727 169.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -129.34 144.27 51.17 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.563 1.945 . . . . 0.0 110.249 -174.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.1 m -86.56 142.78 28.05 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.92 0.782 . . . . 0.0 111.058 172.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.01 126.37 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 . . . . . 0 C--O 1.246 0.884 0 C-N-CA 127.328 2.251 . . . . 0.0 113.692 -176.479 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.3 p . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 41.0 64.23 1.03 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.431 2.692 . . . . 0.0 114.034 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 66.5 tp -59.17 -37.64 77.86 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.02 0.928 . . . . 0.0 113.202 -174.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -71.6 -21.27 61.87 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.999 -1.063 . . . . 0.0 113.172 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -83.28 -28.81 28.87 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.016 1.326 . . . . 0.0 111.92 169.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.9 t -67.31 -45.5 76.3 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.029 1.331 . . . . 0.0 111.687 176.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -53.07 -37.49 61.69 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.884 0.873 . . . . 0.0 113.182 177.016 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.22 -48.12 79.64 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.375 1.47 . . . . 0.0 111.322 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.1 t -67.69 -35.26 78.48 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 126.385 1.874 . . . . 0.0 111.473 -173.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.3 m -75.86 -32.63 59.82 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.962 0.905 . . . . 0.0 112.529 171.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -63.79 -23.96 67.57 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 120.992 -1.068 . . . . 0.0 113.362 174.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.0 m -64.65 -33.27 75.54 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.921 0.888 . . . . 0.0 113.35 169.442 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.6 mt -75.19 -40.09 59.62 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.508 0.723 . . . . 0.0 110.766 169.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.83 20.05 4.67 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 126.147 1.832 . . . . 0.0 114.869 -176.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.76 168.93 18.69 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.93 1.292 . . . . 0.0 112.1 -173.27 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 pp -75.66 154.22 36.7 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.237 0.615 . . . . 0.0 112.608 -176.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.29 136.03 12.47 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.249 0.928 . . . . 0.0 112.782 170.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -122.74 131.3 53.72 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.685 1.994 . . . . 0.0 109.284 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.0 t -91.65 120.66 32.61 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 168.204 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.1 tt -148.43 134.2 11.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 125.665 1.586 . . . . 0.0 109.591 -177.515 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.66 40.9 89.15 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 123.905 0.764 . . . . 0.0 113.976 -176.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 61.67 21.74 12.4 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.627 1.571 . . . . 0.0 115.014 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -142.23 139.22 31.91 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 120.762 -1.212 . . . . 0.0 113.126 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.2 t -63.68 129.15 38.97 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.256 1.423 . . . . 0.0 112.563 169.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -141.93 143.07 33.08 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.558 1.543 . . . . 0.0 111.325 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 m -93.11 144.53 25.18 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.771 0.828 . . . . 0.0 112.25 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.5 m -136.36 126.2 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 . . . . . 0 C--O 1.253 1.24 0 C-N-CA 126.722 2.009 . . . . 0.0 113.443 178.29 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.7 p . . . . . 0 CA--C 1.544 0.738 0 CA-C-O 121.398 0.618 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -78.75 59.77 2.62 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.576 1.95 . . . . 0.0 111.394 -175.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.3 tp -58.29 -39.56 79.65 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.074 1.35 . . . . 0.0 112.969 -174.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -64.41 -48.0 77.05 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.215 1.37 . . . . 0.0 112.863 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -65.06 -34.42 78.38 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 118.758 0.708 . . . . 0.0 112.415 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.5 t -63.38 -51.66 64.94 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.042 0.537 . . . . 0.0 111.272 172.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -62.88 -39.86 95.75 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 125.901 1.68 . . . . 0.0 112.196 -176.397 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.89 -36.51 80.37 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.876 0.762 . . . . 0.0 111.67 174.168 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.7 t -65.09 -33.43 76.0 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.486 -0.759 . . . . 0.0 112.493 172.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 m -75.5 -32.59 60.59 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.088 -1.008 . . . . 0.0 112.203 173.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.9 tpp85 -57.45 -39.16 75.72 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.241 1.416 . . . . 0.0 111.105 172.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.9 m -60.91 -25.12 66.51 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 171.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mt -87.81 -14.26 40.04 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.511 1.124 . . . . 0.0 113.443 171.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.54 31.14 22.51 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.773 1.178 . . . . 0.0 114.648 -171.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.3 168.47 23.96 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.435 1.617 . . . . 0.0 114.294 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.8 mt -74.62 149.34 40.07 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.045 1.338 . . . . 0.0 112.542 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.63 140.45 15.02 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.365 0.983 . . . . 0.0 111.01 167.162 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -137.89 123.27 19.49 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.077 1.351 . . . . 0.0 111.65 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.5 t -86.52 120.3 27.69 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.524 1.13 . . . . 0.0 110.762 174.564 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.8 mt -140.13 132.48 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.577 1.551 . . . . 0.0 108.217 172.474 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.89 42.39 78.67 Favored Glycine 0 CA--C 1.529 0.939 0 CA-C-N 118.198 0.454 . . . . 0.0 113.225 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 62.33 10.77 4.09 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -144.7 151.98 39.73 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 120.598 -1.314 . . . . 0.0 112.083 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.0 t -109.98 141.24 43.04 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -169.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -138.59 148.12 43.77 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.698 1.999 . . . . 0.0 110.139 -173.224 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.0 m -89.03 136.93 32.75 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.538 0.608 . . . . 0.0 112.212 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -144.23 125.7 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.814 1.245 . . . . 0.0 112.643 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 . . . . . 0 C--O 1.255 1.345 0 C-N-CA 126.648 1.979 . . . . 0.0 112.731 177.233 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -122.65 107.73 12.29 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.579 1.152 . . . . 0.0 109.863 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.21 -51.27 11.23 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.593 1.557 . . . . 0.0 113.521 -168.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.4 mmm-85 -58.74 -39.94 82.37 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 119.519 1.054 . . . . 0.0 112.558 -172.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 35.1 mmm-85 -70.28 -31.6 69.03 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 126.547 1.939 . . . . 0.0 113.932 173.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.6 t -78.09 -42.71 31.22 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.023 1.329 . . . . 0.0 112.58 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -56.76 -33.92 67.06 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.587 1.155 . . . . 0.0 112.273 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 mt -55.56 -39.28 70.44 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 122.574 1.178 . . . . 0.0 112.641 174.57 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.9 t -80.62 -37.68 30.65 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 126.032 1.733 . . . . 0.0 110.203 -174.751 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.1 m -72.46 -32.18 66.05 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.398 -0.814 . . . . 0.0 112.536 173.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -55.81 -35.87 66.81 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.578 1.551 . . . . 0.0 111.827 170.274 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.9 p -66.46 -17.08 64.59 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 174.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.1 mt -94.53 -23.1 17.82 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.492 1.517 . . . . 0.0 112.654 172.643 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.92 40.83 8.48 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.564 1.078 . . . . 0.0 113.39 -170.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.69 170.8 19.36 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.081 1.352 . . . . 0.0 112.951 175.146 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.7 mt -76.08 157.69 32.63 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.362 1.065 . . . . 0.0 113.561 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.0 129.24 8.81 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 126.027 1.775 . . . . 0.0 111.26 168.138 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -149.3 164.65 34.25 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.735 1.214 . . . . 0.0 112.3 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.6 m -74.1 136.74 42.99 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -173.388 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.3 mt -142.44 103.9 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.795 1.238 . . . . 0.0 108.678 169.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.7 49.78 22.45 Favored Glycine 0 CA--C 1.538 1.486 0 O-C-N 121.453 -0.78 . . . . 0.0 114.655 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 61.39 15.04 6.23 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 126.455 1.902 . . . . 0.0 116.038 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -141.14 149.47 41.57 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.51 1.524 . . . . 0.0 109.347 170.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.8 t -74.36 148.12 41.55 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.18 -0.95 . . . . 0.0 113.413 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -143.75 148.18 35.27 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.21 2.204 . . . . 0.0 109.473 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.1 m -86.62 138.67 31.49 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.909 -0.495 . . . . 0.0 112.312 176.054 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.7 m -146.51 136.72 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.357 1.463 . . . . 0.0 113.324 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 . . . . . 0 C--O 1.255 1.377 0 C-N-CA 126.554 1.942 . . . . 0.0 113.679 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.8 t . . . . . 0 CA--C 1.545 0.756 0 CA-C-O 121.668 0.746 . . . . 0.0 112.701 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -84.86 59.35 5.52 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.863 1.665 . . . . 0.0 112.881 -173.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.8 tp -64.12 -46.19 85.28 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -168.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -60.27 -43.93 95.76 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 120.191 1.36 . . . . 0.0 112.798 -175.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -66.31 -31.5 72.33 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.889 1.275 . . . . 0.0 113.156 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.5 t -68.37 -58.67 4.01 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.453 0.701 . . . . 0.0 110.253 169.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -51.42 -43.34 61.97 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.112 1.765 . . . . 0.0 114.366 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -69.33 -33.94 73.89 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.647 0.658 . . . . 0.0 112.449 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 t -73.5 -36.25 65.73 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.146 0.978 . . . . 0.0 111.864 176.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.7 m -64.78 -37.18 86.74 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.195 0.998 . . . . 0.0 111.07 171.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -63.09 -28.38 70.03 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.227 1.011 . . . . 0.0 113.45 174.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.0 m -64.13 -33.25 75.35 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.122 0.874 . . . . 0.0 112.559 170.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.6 mt -76.42 -40.79 49.73 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.552 -0.718 . . . . 0.0 111.198 170.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.36 14.5 8.22 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 126.252 1.882 . . . . 0.0 114.55 -172.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.27 168.85 9.48 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.177 1.391 . . . . 0.0 111.051 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 mt -83.45 159.39 21.77 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.329 1.052 . . . . 0.0 110.245 171.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.2 146.97 17.8 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 123.762 0.696 . . . . 0.0 111.828 169.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -144.99 135.31 24.13 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 118.31 1.055 . . . . 0.0 112.331 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.4 m -70.95 131.04 43.12 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.158 0.983 . . . . 0.0 112.128 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.4 tt -148.31 117.31 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 126.114 1.766 . . . . 0.0 109.684 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.23 35.72 91.95 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.272 0.939 . . . . 0.0 114.378 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 63.2 2.0 1.02 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 127.038 2.135 . . . . 0.0 115.434 -170.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -106.75 -170.89 1.79 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.589 1.956 . . . . 0.0 108.958 168.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.6 t -144.54 151.94 39.83 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 120.435 -1.416 . . . . 0.0 111.888 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -138.0 161.35 36.95 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.439 1.096 . . . . 0.0 111.163 169.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.1 m -92.33 140.76 29.27 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.889 0.875 . . . . 0.0 112.418 173.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.4 m -144.29 136.54 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 126.176 1.79 . . . . 0.0 111.449 -175.516 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . 0.252 0.0 OUTLIER . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.257 1.823 . . . . 0.0 111.925 -176.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -96.72 90.74 5.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.94 1.296 . . . . 0.0 110.045 175.392 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.87 -45.21 86.97 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.986 0.914 . . . . 0.0 112.779 -175.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.5 mmm-85 -59.64 -45.13 92.92 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.542 1.065 . . . . 0.0 110.98 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -58.92 -32.27 69.41 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.901 0.88 . . . . 0.0 112.919 172.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.3 t -75.41 -39.91 58.43 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.467 -0.77 . . . . 0.0 111.955 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -55.36 -40.15 70.94 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.681 -0.676 . . . . 0.0 111.761 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.64 -43.56 93.27 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.232 1.413 . . . . 0.0 112.293 175.282 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 t -65.55 -43.63 89.3 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.623 1.169 . . . . 0.0 110.818 -176.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.1 m -72.85 -37.75 67.29 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.701 -0.625 . . . . 0.0 111.753 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -57.2 -34.15 68.23 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.127 0.971 . . . . 0.0 111.431 169.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.2 m -73.97 -4.32 34.49 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.432 1.493 . . . . 0.0 114.427 173.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 mt -102.52 -25.74 13.49 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.153 1.381 . . . . 0.0 112.167 167.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.73 22.59 6.59 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 126.326 1.917 . . . . 0.0 115.055 -172.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.04 174.89 11.82 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.172 1.486 . . . . 0.0 114.775 -173.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.3 mt -83.69 171.26 13.41 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.267 1.427 . . . . 0.0 112.167 176.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.65 159.97 23.36 Favored Glycine 0 N--CA 1.472 1.079 0 C-N-CA 124.837 1.208 . . . . 0.0 114.264 175.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -151.68 138.89 19.27 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.604 1.562 . . . . 0.0 112.234 173.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.6 m -72.89 134.31 44.76 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.764 -0.585 . . . . 0.0 110.604 172.737 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.3 mt -131.95 83.62 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 177.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.09 -138.06 20.11 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.516 1.055 . . . . 0.0 111.359 -167.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -83.28 9.81 9.94 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -142.83 154.1 43.85 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 120.609 -1.307 . . . . 0.0 110.129 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.8 t -102.48 144.84 30.41 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 124.141 0.976 . . . . 0.0 111.899 -176.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -117.99 130.84 56.43 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.813 1.245 . . . . 0.0 109.821 171.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.0 m -77.35 136.7 38.47 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.074 0.55 . . . . 0.0 110.293 171.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.1 m -131.61 123.21 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.57 1.548 . . . . 0.0 111.044 -176.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 . . . . . 0 C--O 1.252 1.226 0 C-N-CA 128.392 2.677 . . . . 0.0 115.86 -169.286 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.9 p . . . . . 0 CA--C 1.544 0.747 0 CA-C-O 121.171 0.51 . . . . 0.0 111.552 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -85.61 61.04 6.61 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.793 1.637 . . . . 0.0 110.75 -176.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.66 -46.13 91.5 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.885 1.674 . . . . 0.0 114.047 -169.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -66.79 -41.35 87.75 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 121.07 -1.019 . . . . 0.0 112.687 -173.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -66.69 -31.97 72.97 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.48 1.112 . . . . 0.0 112.783 170.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.0 t -69.15 -45.47 70.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.828 1.251 . . . . 0.0 112.284 175.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -54.83 -41.76 71.08 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.761 -1.212 . . . . 0.0 111.908 173.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.2 tp -67.88 -30.91 70.39 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.675 1.99 . . . . 0.0 112.644 176.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.4 t -70.19 -48.29 57.8 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.396 -0.815 . . . . 0.0 111.567 170.105 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.9 m -65.33 -30.57 71.42 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.207 -0.933 . . . . 0.0 112.326 -177.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -51.52 -32.81 29.24 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.614 1.566 . . . . 0.0 112.817 169.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.2 t -63.69 -34.06 77.02 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.017 0.927 . . . . 0.0 112.982 176.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -78.93 -21.6 47.03 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.502 1.121 . . . . 0.0 112.42 173.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.17 31.06 15.1 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.366 1.46 . . . . 0.0 114.343 -170.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.56 168.37 19.93 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.369 1.068 . . . . 0.0 112.805 177.266 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -83.3 157.16 22.72 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.117 0.967 . . . . 0.0 112.825 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -109.21 145.09 16.6 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.904 1.24 . . . . 0.0 112.616 172.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -135.6 138.25 42.74 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.981 1.313 . . . . 0.0 112.775 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.2 t -72.27 135.05 45.9 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.392 1.077 . . . . 0.0 111.872 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.7 mt -124.54 78.78 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 125.709 1.604 . . . . 0.0 108.916 172.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.82 -89.59 0.24 Allowed Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.698 1.142 . . . . 0.0 112.357 -173.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -119.4 -8.03 10.11 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.872 1.669 . . . . 0.0 113.607 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -86.88 164.29 16.68 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.78 1.632 . . . . 0.0 110.055 168.262 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.6 t -143.37 129.66 19.88 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 120.995 -1.066 . . . . 0.0 111.477 168.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -123.02 141.88 51.47 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.45 1.5 . . . . 0.0 111.104 -170.137 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.4 m -84.66 139.74 31.82 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.032 0.533 . . . . 0.0 111.114 172.099 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.8 m -135.36 124.08 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 CA-C-O 121.774 0.797 . . . . 0.0 112.163 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.527 0 C-N-CA 126.885 2.074 . . . . 0.0 111.098 175.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.6 p . . . . . 0 CA--C 1.545 0.785 0 CA-C-O 121.235 0.54 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -83.15 53.01 2.33 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.564 1.145 . . . . 0.0 112.388 -173.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -51.33 -50.02 60.25 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.145 1.378 . . . . 0.0 114.497 -168.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -71.71 -38.91 70.47 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 121.225 -0.922 . . . . 0.0 111.914 -173.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -73.75 -28.93 61.94 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.829 1.251 . . . . 0.0 113.032 174.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.8 t -66.81 -54.66 20.25 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 126.058 1.743 . . . . 0.0 110.322 171.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -50.25 -52.59 34.9 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.32 1.048 . . . . 0.0 112.581 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 pp -64.55 -30.72 71.75 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.728 0.695 . . . . 0.0 112.442 -177.402 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.2 m -75.41 -40.96 57.13 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.339 1.056 . . . . 0.0 112.702 175.585 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.1 m -67.02 -38.09 85.31 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.393 1.077 . . . . 0.0 111.557 176.519 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -65.23 -30.19 71.05 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.212 1.405 . . . . 0.0 112.84 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -64.65 -37.87 89.05 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 169.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.1 mt -71.92 -13.9 61.78 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 120.904 -1.122 . . . . 0.0 113.05 171.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.06 22.54 48.47 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.836 1.207 . . . . 0.0 114.758 -174.003 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.497 HD12 ' CB ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -109.75 -168.82 1.37 Allowed 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.821 1.311 . . . . 0.0 109.88 170.838 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.3 mt -115.39 169.86 8.83 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.977 1.711 . . . . 0.0 108.8 166.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.94 148.46 18.9 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 124.121 0.867 . . . . 0.0 114.275 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -140.63 130.64 24.69 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 127.033 2.133 . . . . 0.0 111.66 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.6 t -82.21 133.03 35.24 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.051 0.94 . . . . 0.0 111.974 171.356 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.3 pt -116.96 -161.31 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 C-N-CA 128.176 2.59 . . . . 0.0 109.938 175.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.18 94.4 0.06 OUTLIER Glycine 0 CA--C 1.539 1.593 0 O-C-N 120.796 -1.19 . . . . 0.0 114.221 176.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 57.56 20.99 6.66 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 128.774 2.83 . . . . 0.0 116.793 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -149.53 168.26 24.0 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.585 -1.322 . . . . 0.0 111.032 167.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.0 t -122.4 138.24 54.6 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.142 -0.974 . . . . 0.0 111.801 174.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -126.53 161.68 27.42 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.006 1.323 . . . . 0.0 111.071 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.497 ' CB ' HD12 ' A' ' 17' ' ' LEU . 13.3 m -86.53 156.58 20.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.035 0.445 . . . . 0.0 112.197 174.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -154.12 130.09 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 126.38 1.872 . . . . 0.0 109.606 -176.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--O 1.252 1.199 0 C-N-CA 124.874 1.269 . . . . 0.0 112.339 177.934 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.9 p . . . . . 0 CA--C 1.546 0.805 0 CA-C-O 121.115 0.483 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -91.06 78.24 5.95 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.491 1.516 . . . . 0.0 111.706 -174.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.2 tp -67.72 -40.38 84.26 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 -169.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -64.38 -44.6 90.84 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.355 0.98 . . . . 0.0 112.274 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -69.77 -33.09 71.93 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.415 1.086 . . . . 0.0 112.418 175.41 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.4 t -65.23 -51.2 62.43 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.786 0.834 . . . . 0.0 111.755 173.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.36 -46.45 69.57 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.115 0.966 . . . . 0.0 112.09 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.0 tp -67.07 -27.91 67.76 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.451 1.9 . . . . 0.0 112.631 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.8 t -80.47 -36.91 32.81 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.4 1.48 . . . . 0.0 113.075 172.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.2 m -69.81 -30.22 67.7 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.061 -1.024 . . . . 0.0 111.922 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -59.93 -24.96 64.77 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.001 0.92 . . . . 0.0 112.561 174.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.6 m -66.06 -27.1 67.83 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.692 1.197 . . . . 0.0 113.37 172.324 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -85.69 -18.22 33.77 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.522 1.129 . . . . 0.0 112.205 169.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.56 31.11 19.73 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.433 1.492 . . . . 0.0 113.988 -172.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.425 HD12 ' HB3' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -143.54 167.74 21.5 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.579 1.19 . . . . 0.0 114.156 177.607 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.9 mt -72.72 160.34 32.36 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.546 1.538 . . . . 0.0 113.189 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.36 142.91 15.19 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.86 1.695 . . . . 0.0 113.769 170.332 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -140.18 142.58 35.91 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.413 1.485 . . . . 0.0 113.567 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.1 t -73.68 140.05 45.8 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.433 1.093 . . . . 0.0 112.665 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.9 pt -118.61 7.6 6.82 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 C-N-CA 126.809 2.044 . . . . 0.0 114.424 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.95 -99.65 0.26 Allowed Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.922 1.725 . . . . 0.0 111.417 -175.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -101.11 4.02 41.78 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.481 1.512 . . . . 0.0 112.887 171.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -129.81 172.5 11.6 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 126.714 2.005 . . . . 0.0 111.782 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 46.1 t -142.44 135.89 28.92 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.881 0.872 . . . . 0.0 111.751 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -119.65 143.16 47.86 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 127.519 2.327 . . . . 0.0 109.873 -169.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.425 ' HB3' HD12 ' A' ' 17' ' ' LEU . 11.0 m -88.96 144.73 25.97 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.131 0.423 . . . . 0.0 111.936 174.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.54 128.5 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.893 1.277 . . . . 0.0 112.624 -178.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.186 1.794 . . . . 0.0 112.456 -179.545 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.2 p . . . . . 0 CA--C 1.543 0.675 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -75.15 150.1 38.83 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.655 1.982 . . . . 0.0 113.715 -175.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 tt -128.51 -67.26 0.8 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.364 1.066 . . . . 0.0 111.869 -173.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -59.04 -43.73 91.69 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 119.979 1.263 . . . . 0.0 112.109 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -69.66 -25.31 63.84 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 175.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.5 t -70.99 -52.27 20.66 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.438 0.695 . . . . 0.0 110.541 170.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -53.54 -50.81 64.69 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.187 0.995 . . . . 0.0 112.54 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -29.95 70.74 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.546 -0.721 . . . . 0.0 112.906 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.9 t -67.38 -32.81 73.97 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.306 1.043 . . . . 0.0 112.729 171.335 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.3 m -78.35 -27.01 46.94 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 118.744 -0.646 . . . . 0.0 112.503 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.5 mmt-85 -57.84 -31.86 67.07 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.805 1.184 . . . . 0.0 112.541 168.191 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.6 m -65.39 -18.93 65.7 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 173.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.8 mt -95.83 -26.55 15.59 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.66 1.184 . . . . 0.0 111.961 168.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.45 26.59 8.59 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 127.253 2.359 . . . . 0.0 115.111 -175.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.53 177.72 7.39 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.665 1.586 . . . . 0.0 113.355 -176.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.5 mt -75.69 164.03 26.69 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.211 1.804 . . . . 0.0 111.831 168.671 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.32 142.79 13.85 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.277 0.941 . . . . 0.0 114.281 174.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -141.3 150.92 43.16 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.496 1.918 . . . . 0.0 111.129 174.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.8 t -78.91 127.47 32.05 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.565 -0.709 . . . . 0.0 110.724 168.56 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.8 mm -133.73 122.91 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 126.742 2.017 . . . . 0.0 108.035 177.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.3 44.26 96.66 Favored Glycine 0 CA--C 1.536 1.372 0 O-C-N 121.425 -0.797 . . . . 0.0 114.052 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 67.79 13.91 9.32 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 125.957 1.703 . . . . 0.0 115.564 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -139.4 156.52 46.93 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 127.183 2.193 . . . . 0.0 111.776 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.6 t -64.85 138.26 58.27 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.02 -1.05 . . . . 0.0 112.887 171.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -136.74 129.54 30.66 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 128.181 2.592 . . . . 0.0 108.634 169.804 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 55.7 m -86.68 146.59 26.24 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.562 -0.711 . . . . 0.0 111.68 174.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.7 m -141.26 132.11 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 124.202 1.001 . . . . 0.0 113.375 -169.635 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 C--O 1.251 1.164 0 C-N-CA 123.973 0.909 . . . . 0.0 110.7 167.347 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 t . . . . . 0 CA--C 1.544 0.716 0 N-CA-C 111.679 0.252 . . . . 0.0 111.679 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -76.49 58.85 1.39 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.356 1.863 . . . . 0.0 111.496 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.12 -49.36 76.19 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.243 1.817 . . . . 0.0 113.88 -168.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -63.51 -43.11 98.16 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.745 1.157 . . . . 0.0 113.68 -172.205 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -71.93 -29.14 63.98 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.075 0.95 . . . . 0.0 112.886 174.015 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.6 t -66.51 -58.01 6.11 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.6 0.76 . . . . 0.0 110.206 172.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.59 -47.44 73.33 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.155 1.382 . . . . 0.0 113.203 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 pp -63.11 -33.95 76.56 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.227 0.921 . . . . 0.0 111.662 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.3 m -68.19 -45.91 72.1 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.38 0.672 . . . . 0.0 111.702 172.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.9 m -61.0 -42.79 99.13 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.287 1.035 . . . . 0.0 112.212 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -67.05 -25.47 66.27 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 125.152 1.381 . . . . 0.0 112.167 -177.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.4 p -65.43 -27.75 68.75 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 170.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt -87.38 -14.04 41.75 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.929 1.292 . . . . 0.0 113.118 174.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.92 15.67 55.87 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.837 1.208 . . . . 0.0 114.904 -174.204 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.19 174.14 6.39 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.156 1.383 . . . . 0.0 111.117 176.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.5 mt -107.3 148.32 29.14 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.462 1.105 . . . . 0.0 111.645 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.77 144.33 17.11 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.121 0.867 . . . . 0.0 113.01 175.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -144.23 145.17 31.89 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.205 1.002 . . . . 0.0 112.73 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.3 m -81.78 104.31 12.07 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.524 1.13 . . . . 0.0 111.198 176.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.5 mt -89.1 58.87 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.368 1.467 . . . . 0.0 108.235 175.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.5 -135.01 12.25 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 125.322 1.439 . . . . 0.0 111.274 -167.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.539 ' H ' ' CD ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -78.82 -4.62 50.43 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.522 1.529 . . . . 0.0 113.801 177.407 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -118.56 142.11 47.93 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.208 2.203 . . . . 0.0 110.942 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.5 t -111.02 145.19 38.9 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.212 1.005 . . . . 0.0 112.788 -175.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -139.05 143.52 38.42 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.445 1.098 . . . . 0.0 112.009 176.451 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.9 m -85.81 133.85 33.96 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.134 0.973 . . . . 0.0 111.989 171.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.22 134.15 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 N-CA-C 115.243 1.571 . . . . 0.0 115.243 -173.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 127.032 2.133 . . . . 0.0 111.619 168.332 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.9 p . . . . . 0 CA--C 1.543 0.685 0 CA-C-O 120.91 0.386 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -85.14 69.23 10.75 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.547 1.539 . . . . 0.0 110.584 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.98 -45.08 95.21 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.933 1.293 . . . . 0.0 113.319 -170.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.39 -49.47 73.71 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.341 0.973 . . . . 0.0 113.014 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -56.03 -35.43 66.87 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.851 0.86 . . . . 0.0 112.06 172.495 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.1 t -71.43 -53.09 15.18 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.731 1.212 . . . . 0.0 111.892 177.166 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -54.18 -44.99 72.0 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.701 1.591 . . . . 0.0 112.579 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.34 -25.6 62.46 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 122.707 0.403 . . . . 0.0 111.844 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.6 t -71.38 -45.31 63.16 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.773 0.829 . . . . 0.0 111.664 168.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.7 m -65.26 -23.45 67.05 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.729 1.612 . . . . 0.0 112.302 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -56.31 -33.44 65.57 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.747 1.219 . . . . 0.0 112.616 170.046 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.6 p -71.4 -5.58 33.81 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 175.078 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.6 mt -105.05 -16.7 14.73 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.376 1.47 . . . . 0.0 111.875 168.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.78 21.89 27.39 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.117 1.341 . . . . 0.0 115.236 -175.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.08 171.69 14.51 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.392 1.077 . . . . 0.0 113.66 -173.788 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.6 mt -81.55 170.37 15.96 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.602 1.161 . . . . 0.0 112.58 176.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.3 141.68 15.95 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.285 1.422 . . . . 0.0 111.879 173.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -120.79 129.96 53.8 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.114 2.166 . . . . 0.0 110.908 -174.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.2 t -73.98 131.2 41.17 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.751 0.82 . . . . 0.0 112.43 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.7 mt -123.92 75.59 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 127.166 2.186 . . . . 0.0 108.703 176.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.38 -98.4 0.66 Allowed Glycine 0 CA--C 1.531 1.059 0 C-N-CA 124.475 1.036 . . . . 0.0 113.613 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 pm0 -99.51 -1.84 37.38 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.26 1.424 . . . . 0.0 113.944 174.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -123.75 173.81 7.9 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.055 1.342 . . . . 0.0 111.321 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.7 t -143.24 148.29 36.19 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 121.161 -0.962 . . . . 0.0 111.522 173.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -137.37 137.43 38.86 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.156 1.382 . . . . 0.0 110.946 -172.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.8 m -78.96 135.47 36.95 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.905 -0.497 . . . . 0.0 112.129 -177.635 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.5 m -131.95 125.29 54.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.53 1.132 . . . . 0.0 112.807 -173.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 128.532 2.733 . . . . 0.0 114.474 178.614 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.6 p . . . . . 0 CA--C 1.542 0.655 0 CA-C-O 122.164 0.983 . . . . 0.0 113.297 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -75.69 67.64 2.17 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.782 2.033 . . . . 0.0 111.122 -176.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.9 tp -58.04 -37.98 75.41 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.335 -1.478 . . . . 0.0 113.274 -173.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -64.89 -22.39 66.99 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.248 1.019 . . . . 0.0 113.176 177.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -93.82 -21.87 19.01 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.616 1.566 . . . . 0.0 113.081 173.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 51.8 t -71.73 -44.95 63.22 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.371 1.069 . . . . 0.0 111.532 169.675 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.12 -49.47 73.8 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.912 0.885 . . . . 0.0 112.252 174.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.66 -25.44 64.82 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.343 -0.848 . . . . 0.0 113.173 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.7 t -69.91 -51.21 34.93 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.877 1.271 . . . . 0.0 111.337 172.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.2 m -68.14 -25.48 65.3 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.132 -0.98 . . . . 0.0 113.038 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -59.67 -18.23 40.42 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 168.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.6 t -61.36 -34.22 74.95 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.284 0.947 . . . . 0.0 112.711 169.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.0 mt -83.95 -34.57 24.41 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.34 1.056 . . . . 0.0 111.142 168.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.23 3.94 31.08 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 126.328 1.918 . . . . 0.0 114.484 -176.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.06 173.38 7.07 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.187 1.395 . . . . 0.0 111.333 176.349 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 pp -75.59 154.16 36.9 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.13 0.972 . . . . 0.0 112.12 170.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.93 140.72 15.04 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 124.875 1.226 . . . . 0.0 111.307 169.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -135.58 137.71 42.25 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.174 1.389 . . . . 0.0 109.601 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.3 t -88.19 122.32 31.61 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.5 0.667 . . . . 0.0 110.58 173.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.8 mm -89.85 65.63 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 124.66 1.184 . . . . 0.0 108.904 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.83 -46.19 1.41 Allowed Glycine 0 CA--C 1.536 1.353 0 C-N-CA 126.625 2.06 . . . . 0.0 115.06 -175.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -140.65 -13.79 0.97 Allowed 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 -175.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -137.78 145.32 42.24 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 120.992 -1.067 . . . . 0.0 111.926 -170.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 29.0 t -80.72 136.41 36.16 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.575 1.15 . . . . 0.0 113.204 -175.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -138.99 143.53 38.54 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.406 1.483 . . . . 0.0 110.307 169.509 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.8 m -97.12 141.46 30.22 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.794 0.838 . . . . 0.0 111.158 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.0 m -141.36 141.35 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 . . . . . 0 C--O 1.252 1.23 0 C-N-CA 127.287 2.235 . . . . 0.0 115.227 -173.284 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 48.9 t . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -84.09 68.55 10.12 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.093 1.757 . . . . 0.0 112.244 173.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.48 -42.59 96.59 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 120.995 -1.066 . . . . 0.0 112.157 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -66.48 -50.52 63.02 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 -65.67 -18.74 65.54 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 175.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.4 t -81.44 -55.76 4.48 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.482 1.113 . . . . 0.0 112.794 170.331 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -52.96 -41.39 64.49 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.558 1.543 . . . . 0.0 113.017 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 pp -61.49 -32.88 72.92 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.396 0.544 . . . . 0.0 112.394 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.6 p -71.74 -43.83 65.15 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.433 -0.792 . . . . 0.0 112.076 174.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.1 m -60.92 -29.71 69.76 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.75 0.82 . . . . 0.0 110.811 175.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -34.72 76.88 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.612 1.165 . . . . 0.0 112.628 173.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.9 t -64.24 -36.38 83.9 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.849 0.86 . . . . 0.0 111.814 173.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -77.64 -19.51 55.34 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.137 0.975 . . . . 0.0 112.547 174.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.13 27.32 40.94 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 125.445 1.498 . . . . 0.0 114.685 -176.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.62 170.91 15.29 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.128 1.771 . . . . 0.0 112.715 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.4 mt -79.4 152.19 30.5 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.959 1.304 . . . . 0.0 113.875 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.74 147.23 17.42 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 125.762 1.649 . . . . 0.0 112.472 168.641 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -141.74 132.0 24.98 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.5 1.52 . . . . 0.0 111.375 -175.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.5 m -75.17 130.5 39.29 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.484 -0.76 . . . . 0.0 111.668 172.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.9 mt -126.08 72.72 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.647 1.579 . . . . 0.0 107.239 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.93 -147.56 30.75 Favored Glycine 0 CA--C 1.537 1.432 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 -165.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.0 pm0 -69.74 3.78 2.33 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 -173.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -141.32 152.32 44.34 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.802 1.641 . . . . 0.0 111.647 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.8 t -105.63 155.78 18.89 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.04 1.336 . . . . 0.0 113.268 -177.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -143.88 146.1 32.77 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.276 2.231 . . . . 0.0 109.96 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 m -83.54 150.87 25.69 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.526 0.731 . . . . 0.0 112.517 178.262 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 m -144.39 130.56 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.923 1.689 . . . . 0.0 111.665 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 . . . . . 0 C--O 1.255 1.355 0 C-N-CA 125.165 1.386 . . . . 0.0 112.433 175.582 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.8 p . . . . . 0 CA--C 1.547 0.858 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -72.06 50.68 0.21 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 128.474 2.709 . . . . 0.0 114.169 174.241 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.76 -50.85 71.88 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.758 1.223 . . . . 0.0 114.193 -169.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -57.79 -43.08 85.38 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.995 1.271 . . . . 0.0 112.598 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 50.8 mmm-85 -71.17 -25.3 62.48 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.595 1.158 . . . . 0.0 113.417 176.759 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 t -76.95 -49.32 15.79 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.982 0.913 . . . . 0.0 112.769 173.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -53.99 -40.39 66.88 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 118.788 0.722 . . . . 0.0 112.161 -178.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -70.92 -24.26 62.42 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.3 t -70.6 -48.94 52.62 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.222 -0.924 . . . . 0.0 111.476 171.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.7 m -64.15 -31.1 72.18 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.271 1.028 . . . . 0.0 112.521 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -53.56 -32.03 49.08 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.072 1.749 . . . . 0.0 112.601 173.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.2 p -71.19 -32.42 68.85 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.5 mt -76.67 -26.66 55.04 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.124 0.97 . . . . 0.0 111.502 177.491 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.55 24.3 11.22 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 125.792 1.663 . . . . 0.0 114.579 -174.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.11 167.13 22.93 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.08 1.352 . . . . 0.0 112.697 -178.077 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 38.3 mt -82.68 151.0 26.45 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.642 0.777 . . . . 0.0 112.612 -177.606 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.49 127.85 9.3 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 168.409 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -124.45 122.85 38.78 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 118.121 0.961 . . . . 0.0 110.793 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.2 t -85.15 109.39 18.25 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.335 1.054 . . . . 0.0 111.378 176.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.2 mt -140.37 121.37 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 124.889 1.276 . . . . 0.0 108.833 -177.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.23 31.14 35.26 Favored Glycine 0 CA--C 1.536 1.354 0 O-C-N 121.721 -0.612 . . . . 0.0 113.508 -171.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 58.91 34.21 23.5 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.211 1.804 . . . . 0.0 112.294 -176.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -156.5 138.49 14.45 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.586 1.554 . . . . 0.0 110.336 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.4 t -98.26 137.27 37.25 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -137.23 139.12 40.82 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 127.222 2.209 . . . . 0.0 109.276 -175.57 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.2 m -81.83 128.34 33.92 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.178 0.591 . . . . 0.0 111.245 178.175 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.6 m -144.8 143.35 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.886 1.674 . . . . 0.0 113.086 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 127.949 2.499 . . . . 0.0 115.465 179.905 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.5 p . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -75.23 58.5 0.94 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.933 2.093 . . . . 0.0 112.859 -170.355 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.2 tp -59.16 -33.66 71.18 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.837 1.655 . . . . 0.0 113.686 -171.107 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -42.01 76.2 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 120.292 1.405 . . . . 0.0 112.563 176.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -67.99 -30.33 69.56 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.988 1.315 . . . . 0.0 112.019 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.0 t -71.64 -52.27 18.86 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.339 1.056 . . . . 0.0 111.969 169.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -53.61 -39.11 64.66 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.602 1.161 . . . . 0.0 112.416 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -69.97 -34.6 73.59 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.32 0.964 . . . . 0.0 113.035 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.4 m -68.75 -34.73 76.08 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.797 0.726 . . . . 0.0 112.897 173.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.9 m -77.06 -30.42 55.57 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.603 -0.685 . . . . 0.0 111.721 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.6 ttp85 -57.43 -36.03 70.84 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.8 1.24 . . . . 0.0 112.879 173.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.2 m -63.49 -35.85 81.81 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.05 0.54 . . . . 0.0 112.327 173.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt -72.87 -28.3 62.43 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.125 0.875 . . . . 0.0 112.852 173.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.22 34.99 7.75 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.831 1.205 . . . . 0.0 113.447 -171.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.68 166.99 23.62 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.505 1.122 . . . . 0.0 111.917 175.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.1 mt -74.66 160.33 30.95 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.961 0.904 . . . . 0.0 112.46 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.89 135.18 12.31 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.903 1.239 . . . . 0.0 110.782 169.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -137.96 142.37 40.51 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.416 1.487 . . . . 0.0 111.442 -177.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.0 t -91.1 134.22 34.7 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.833 1.253 . . . . 0.0 111.988 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.8 tt -150.4 103.57 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 125.154 1.382 . . . . 0.0 111.264 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.22 51.78 5.98 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.007 1.289 . . . . 0.0 114.397 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 64.6 14.48 9.02 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.899 1.68 . . . . 0.0 115.424 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -148.17 154.41 40.1 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.155 1.382 . . . . 0.0 110.648 171.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.6 t -115.38 139.32 50.11 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 124.779 1.231 . . . . 0.0 113.733 -173.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -127.6 168.26 15.24 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 127.565 2.346 . . . . 0.0 111.08 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.4 m -93.45 143.53 26.2 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.4 m -141.38 127.55 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.357 1.063 . . . . 0.0 112.556 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 . . . . . 0 C--O 1.252 1.237 0 C-N-CA 126.272 1.829 . . . . 0.0 112.352 170.073 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.6 t . . . . . 0 CA--C 1.543 0.69 0 CA-C-O 120.817 0.341 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -118.61 103.95 10.18 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.0 1.32 . . . . 0.0 109.803 177.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.0 tp -56.2 -39.57 72.64 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.468 1.107 . . . . 0.0 113.729 -168.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -66.8 -35.53 80.27 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.41 -33.28 60.94 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.933 1.693 . . . . 0.0 112.365 176.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.6 t -64.9 -53.06 52.54 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.87 0.868 . . . . 0.0 110.824 170.754 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.61 -48.94 74.06 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.007 1.323 . . . . 0.0 113.417 177.237 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.14 -26.68 67.55 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.677 0.671 . . . . 0.0 112.528 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.0 m -74.81 -43.18 56.04 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.968 0.907 . . . . 0.0 112.032 173.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 57.6 m -67.49 -25.47 65.88 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.098 0.959 . . . . 0.0 112.411 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -33.41 23.3 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.994 1.718 . . . . 0.0 113.842 170.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.6 t -70.56 -33.4 71.06 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.849 0.86 . . . . 0.0 112.511 177.651 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.1 mt -74.83 -29.79 61.17 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.355 -0.841 . . . . 0.0 112.331 175.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.15 31.14 5.43 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 125.848 1.689 . . . . 0.0 114.411 -173.818 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.8 173.9 14.19 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -175.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.41 152.33 30.4 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.0 1.32 . . . . 0.0 113.322 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.55 149.36 18.38 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 125.121 1.343 . . . . 0.0 113.592 174.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -145.67 144.2 30.27 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.424 1.489 . . . . 0.0 112.385 178.232 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 92.9 m -89.82 133.66 34.61 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.376 1.07 . . . . 0.0 111.285 173.207 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.7 tt -154.85 132.09 2.27 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 126.199 1.799 . . . . 0.0 110.749 177.354 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.45 37.18 93.69 Favored Glycine 0 CA--C 1.542 1.739 0 O-C-N 120.529 -1.357 . . . . 0.0 114.609 176.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 59.19 29.33 18.87 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.558 1.543 . . . . 0.0 114.208 -172.058 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -147.76 149.96 33.36 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.24 -0.912 . . . . 0.0 113.317 177.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.1 t -77.35 141.6 39.77 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.088 1.355 . . . . 0.0 112.701 175.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -134.41 136.47 43.32 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.323 1.849 . . . . 0.0 109.913 169.013 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.8 m -97.84 139.86 33.07 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.115 0.566 . . . . 0.0 111.601 170.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.6 m -137.64 135.27 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 123.844 0.858 . . . . 0.0 113.107 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 . . . . . 0 C--O 1.254 1.315 0 C-N-CA 125.219 1.407 . . . . 0.0 112.9 176.414 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.1 t . . . . . 0 CA--C 1.546 0.794 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -64.72 100.09 0.37 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.907 0.883 . . . . 0.0 110.647 168.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 61.7 tp -66.8 -44.99 79.79 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.07 1.348 . . . . 0.0 112.518 176.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -66.48 -40.91 89.59 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.33 -0.856 . . . . 0.0 112.57 -172.58 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -61.9 -25.83 67.8 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.678 1.191 . . . . 0.0 112.787 175.069 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.4 t -79.91 -51.8 8.66 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.881 1.272 . . . . 0.0 111.617 169.804 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -52.22 -43.29 64.19 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.59 -35.11 78.37 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.157 0.583 . . . . 0.0 112.495 179.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 t -70.65 -36.06 73.21 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.815 -0.553 . . . . 0.0 112.121 174.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.5 m -67.16 -30.96 71.07 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.322 -0.861 . . . . 0.0 112.314 172.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -59.94 -28.89 68.01 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.13 0.972 . . . . 0.0 112.316 174.314 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.3 m -64.42 -16.6 62.67 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.449 1.278 . . . . 0.0 114.449 173.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 mt -100.88 -14.76 17.81 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.712 1.205 . . . . 0.0 112.24 170.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.8 26.07 30.49 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.546 1.545 . . . . 0.0 114.813 -171.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.31 169.57 13.41 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.991 1.396 . . . . 0.0 113.307 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pp -88.0 158.99 18.48 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.238 1.015 . . . . 0.0 111.168 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -114.53 150.47 18.66 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.011 0.815 . . . . 0.0 114.255 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -141.26 150.35 42.49 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 128.16 2.584 . . . . 0.0 108.446 174.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.2 t -129.68 121.18 26.45 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.426 -0.796 . . . . 0.0 112.716 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.9 mt -135.03 133.91 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.35 1.06 . . . . 0.0 109.671 -175.364 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.78 44.36 96.36 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-O 119.257 -0.746 . . . . 0.0 112.812 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 63.39 3.23 1.35 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.31 2.244 . . . . 0.0 115.389 -172.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -123.31 133.29 54.16 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 120.865 -1.147 . . . . 0.0 113.799 -169.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.5 t -70.54 145.44 50.82 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.665 1.186 . . . . 0.0 113.463 178.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -140.86 145.05 35.69 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.047 1.739 . . . . 0.0 110.366 167.11 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.9 m -114.84 140.75 48.69 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.646 1.578 . . . . 0.0 111.743 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.7 m -139.13 137.77 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.983 0.913 . . . . 0.0 113.229 -178.239 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 . . . . . 0 C--O 1.262 1.747 0 C-N-CA 125.045 1.338 . . . . 0.0 110.469 169.423 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.2 p . . . . . 0 CA--C 1.546 0.798 0 N-CA-C 114.147 1.165 . . . . 0.0 114.147 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -112.45 93.02 4.23 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.639 1.976 . . . . 0.0 111.64 -169.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.9 tp -68.08 -50.54 54.37 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -169.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.3 ttp85 -69.08 -28.66 66.71 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.84 -1.162 . . . . 0.0 112.924 -176.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -72.5 -30.56 64.61 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.291 1.037 . . . . 0.0 112.957 168.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.72 -47.76 71.3 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.461 0.573 . . . . 0.0 110.043 170.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -53.35 -50.39 65.13 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.204 1.001 . . . . 0.0 113.576 175.028 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.11 -29.79 67.94 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.584 0.629 . . . . 0.0 112.45 -178.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -72.17 -44.75 62.56 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.666 0.786 . . . . 0.0 111.853 174.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.1 m -65.15 -30.76 71.71 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.082 -1.012 . . . . 0.0 112.083 176.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -61.48 -23.57 65.98 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 118.093 -0.956 . . . . 0.0 112.83 176.188 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.5 p -61.42 -28.01 68.95 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.299 0.954 . . . . 0.0 113.232 170.718 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -84.32 -19.05 34.36 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.379 1.472 . . . . 0.0 112.927 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.11 22.1 18.46 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 125.716 1.626 . . . . 0.0 115.47 -172.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.79 169.03 21.38 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.151 1.38 . . . . 0.0 113.898 -174.07 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 pp -81.72 162.53 22.94 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.464 1.506 . . . . 0.0 113.499 -177.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -124.07 149.14 16.88 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.477 1.037 . . . . 0.0 115.431 176.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -139.11 159.97 40.89 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 127.343 2.257 . . . . 0.0 112.69 169.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.5 t -86.97 121.18 29.08 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.188 0.995 . . . . 0.0 111.357 170.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.2 mt -138.92 122.0 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 126.346 1.859 . . . . 0.0 108.48 -173.187 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.16 34.14 86.9 Favored Glycine 0 CA--C 1.537 1.458 0 O-C-N 121.228 -0.92 . . . . 0.0 114.035 -170.139 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 57.58 28.93 16.37 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 126.114 1.766 . . . . 0.0 115.244 -172.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -145.32 154.82 42.74 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.831 1.652 . . . . 0.0 110.855 172.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.8 t -62.19 142.13 57.82 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.732 -1.23 . . . . 0.0 113.4 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.1 tttt -141.06 141.05 34.32 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 126.749 2.02 . . . . 0.0 109.615 169.15 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.0 m -109.73 134.23 52.23 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.594 1.157 . . . . 0.0 111.685 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.8 m -133.33 135.37 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.332 1.053 . . . . 0.0 112.733 -177.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.537 1.535 . . . . 0.0 112.335 174.81 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.6 p . . . . . 0 CA--C 1.543 0.705 0 CA-C-O 121.716 0.77 . . . . 0.0 113.057 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -91.21 71.91 6.23 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.393 1.477 . . . . 0.0 108.868 174.583 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.6 tp -68.61 -42.45 78.13 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.069 0.947 . . . . 0.0 112.812 -169.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -44.01 89.64 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.256 0.935 . . . . 0.0 111.831 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -72.29 -27.08 62.23 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 173.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.2 -50.88 62.34 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.011 0.823 . . . . 0.0 110.824 171.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -56.7 -42.24 78.77 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.791 1.236 . . . . 0.0 113.833 -178.714 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -72.71 -28.63 62.78 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.044 0.386 . . . . 0.0 112.044 176.821 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.3 m -71.79 -39.79 69.66 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.383 0.673 . . . . 0.0 111.722 173.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.2 m -61.31 -28.9 69.54 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.804 1.241 . . . . 0.0 111.956 172.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -62.53 -22.25 66.16 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.873 0.869 . . . . 0.0 113.143 174.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.7 p -67.68 -30.55 70.11 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.218 0.917 . . . . 0.0 112.948 170.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 mt -75.89 -31.08 59.04 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.27 1.028 . . . . 0.0 111.09 169.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.99 13.1 7.97 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 127.157 2.313 . . . . 0.0 114.926 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.56 176.21 8.92 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -167.774 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 pp -85.18 167.18 15.94 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.461 1.504 . . . . 0.0 113.198 178.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -125.76 152.07 17.9 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.09 1.328 . . . . 0.0 114.241 176.844 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -138.18 132.23 31.56 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.454 1.902 . . . . 0.0 111.207 -173.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.5 t -79.7 133.21 36.35 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.236 1.014 . . . . 0.0 111.836 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.2 mm -96.54 -15.48 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 126.769 2.028 . . . . 0.0 112.251 -178.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.5 -77.89 0.21 Allowed Glycine 0 CA--C 1.526 0.774 0 C-N-CA 126.751 2.12 . . . . 0.0 110.185 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -104.97 -30.11 10.02 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.485 1.514 . . . . 0.0 112.126 169.216 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -92.63 171.18 9.17 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.601 1.161 . . . . 0.0 112.1 173.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 40.1 t -144.08 139.94 29.2 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.114 1.366 . . . . 0.0 110.902 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -121.21 152.53 38.71 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.426 1.491 . . . . 0.0 111.522 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 m -93.57 144.02 25.76 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.655 0.782 . . . . 0.0 111.715 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.1 m -139.03 136.62 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 . . . . . 0 C--O 1.254 1.327 0 C-N-CA 126.744 2.018 . . . . 0.0 115.305 -179.806 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 CA--C 1.546 0.795 0 CA-C-O 121.464 0.65 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -71.49 52.42 0.2 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 127.792 2.437 . . . . 0.0 112.993 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.2 tp -58.37 -36.9 74.19 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.532 -1.355 . . . . 0.0 113.58 -169.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -64.86 -49.24 71.3 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.468 1.031 . . . . 0.0 111.533 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -71.93 -30.38 65.28 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.201 1.001 . . . . 0.0 112.402 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.5 t -65.02 -53.59 43.67 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.68 1.192 . . . . 0.0 111.062 171.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -55.53 -42.05 74.01 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 120.823 -1.173 . . . . 0.0 112.982 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 pp -72.9 -32.12 65.14 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 118.899 0.772 . . . . 0.0 112.3 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 64.6 m -66.02 -40.12 90.8 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.117 0.967 . . . . 0.0 112.19 172.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.8 m -73.02 -35.12 66.73 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.53 1.132 . . . . 0.0 112.124 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.7 ttm-85 -55.99 -31.33 62.94 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.304 1.041 . . . . 0.0 112.918 174.384 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.0 t -56.59 -40.99 76.22 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 172.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -79.54 -14.96 58.5 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.714 1.206 . . . . 0.0 113.264 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.8 18.65 50.66 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.628 1.108 . . . . 0.0 114.985 -173.137 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.8 165.91 17.16 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.817 1.309 . . . . 0.0 112.433 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 pp -83.67 153.81 24.02 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.268 1.027 . . . . 0.0 111.329 175.694 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.22 141.64 15.41 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 124.902 1.239 . . . . 0.0 111.808 169.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -137.32 131.84 32.78 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.575 1.15 . . . . 0.0 111.397 -174.636 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.3 t -82.23 130.72 35.16 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.364 1.065 . . . . 0.0 112.492 -176.328 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.4 mt -123.77 91.45 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 127.05 2.14 . . . . 0.0 108.07 176.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.18 -118.45 11.15 Favored Glycine 0 CA--C 1.532 1.136 0 O-C-N 121.382 -0.824 . . . . 0.0 112.65 -175.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.16 4.35 48.86 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.127 1.371 . . . . 0.0 113.649 171.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -111.02 161.67 15.64 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.84 1.656 . . . . 0.0 112.25 -178.076 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.5 t -138.41 139.93 39.13 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.356 -0.84 . . . . 0.0 111.727 169.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -129.34 144.27 51.17 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.563 1.945 . . . . 0.0 110.249 -174.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.1 m -86.56 142.78 28.05 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.92 0.782 . . . . 0.0 111.058 172.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.01 126.37 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 . . . . . 0 C--O 1.246 0.884 0 C-N-CA 127.328 2.251 . . . . 0.0 113.692 -176.479 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -73.32 139.5 46.1 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.453 -0.78 . . . . 0.0 112.307 -179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.3 p -73.13 4.3 4.57 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 173.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 41.0 64.23 1.03 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.431 2.692 . . . . 0.0 114.034 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 66.5 tp -59.17 -37.64 77.86 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.02 0.928 . . . . 0.0 113.202 -174.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -71.6 -21.27 61.87 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.999 -1.063 . . . . 0.0 113.172 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -83.28 -28.81 28.87 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.016 1.326 . . . . 0.0 111.92 169.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.9 t -67.31 -45.5 76.3 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.029 1.331 . . . . 0.0 111.687 176.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -53.07 -37.49 61.69 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.884 0.873 . . . . 0.0 113.182 177.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.22 -48.12 79.64 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.375 1.47 . . . . 0.0 111.322 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.1 t -67.69 -35.26 78.48 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 126.385 1.874 . . . . 0.0 111.473 -173.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.3 m -75.86 -32.63 59.82 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.962 0.905 . . . . 0.0 112.529 171.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -63.79 -23.96 67.57 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 120.992 -1.068 . . . . 0.0 113.362 174.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.0 m -64.65 -33.27 75.54 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.921 0.888 . . . . 0.0 113.35 169.442 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.6 mt -75.19 -40.09 59.62 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.508 0.723 . . . . 0.0 110.766 169.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.83 20.05 4.67 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 126.147 1.832 . . . . 0.0 114.869 -176.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.76 168.93 18.69 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.93 1.292 . . . . 0.0 112.1 -173.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 pp -75.66 154.22 36.7 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.237 0.615 . . . . 0.0 112.608 -176.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.29 136.03 12.47 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.249 0.928 . . . . 0.0 112.782 170.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -122.74 131.3 53.72 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.685 1.994 . . . . 0.0 109.284 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.0 t -91.65 120.66 32.61 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 168.204 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.1 tt -148.43 134.2 11.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 125.665 1.586 . . . . 0.0 109.591 -177.515 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.66 40.9 89.15 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 123.905 0.764 . . . . 0.0 113.976 -176.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 61.67 21.74 12.4 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.627 1.571 . . . . 0.0 115.014 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -142.23 139.22 31.91 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 120.762 -1.212 . . . . 0.0 113.126 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.2 t -63.68 129.15 38.97 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.256 1.423 . . . . 0.0 112.563 169.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -141.93 143.07 33.08 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.558 1.543 . . . . 0.0 111.325 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 m -93.11 144.53 25.18 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.771 0.828 . . . . 0.0 112.25 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.5 m -136.36 126.2 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 . . . . . 0 C--O 1.253 1.24 0 C-N-CA 126.722 2.009 . . . . 0.0 113.443 178.29 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.799 0 CA-C-O 120.482 0.182 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -72.2 161.2 31.2 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.462 0.705 . . . . 0.0 111.486 170.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.7 p -68.61 137.87 54.59 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 121.398 0.618 . . . . 0.0 111.149 175.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -78.75 59.77 2.62 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.576 1.95 . . . . 0.0 111.394 -175.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.3 tp -58.29 -39.56 79.65 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.074 1.35 . . . . 0.0 112.969 -174.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -64.41 -48.0 77.05 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.215 1.37 . . . . 0.0 112.863 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -65.06 -34.42 78.38 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 118.758 0.708 . . . . 0.0 112.415 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.5 t -63.38 -51.66 64.94 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.042 0.537 . . . . 0.0 111.272 172.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -62.88 -39.86 95.75 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 125.901 1.68 . . . . 0.0 112.196 -176.397 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.89 -36.51 80.37 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.876 0.762 . . . . 0.0 111.67 174.168 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.7 t -65.09 -33.43 76.0 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.486 -0.759 . . . . 0.0 112.493 172.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 m -75.5 -32.59 60.59 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.088 -1.008 . . . . 0.0 112.203 173.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.9 tpp85 -57.45 -39.16 75.72 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.241 1.416 . . . . 0.0 111.105 172.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.9 m -60.91 -25.12 66.51 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 171.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mt -87.81 -14.26 40.04 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.511 1.124 . . . . 0.0 113.443 171.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.54 31.14 22.51 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.773 1.178 . . . . 0.0 114.648 -171.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.3 168.47 23.96 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.435 1.617 . . . . 0.0 114.294 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.8 mt -74.62 149.34 40.07 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.045 1.338 . . . . 0.0 112.542 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.63 140.45 15.02 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.365 0.983 . . . . 0.0 111.01 167.162 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -137.89 123.27 19.49 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.077 1.351 . . . . 0.0 111.65 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.5 t -86.52 120.3 27.69 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.524 1.13 . . . . 0.0 110.762 174.564 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.8 mt -140.13 132.48 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.577 1.551 . . . . 0.0 108.217 172.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.89 42.39 78.67 Favored Glycine 0 CA--C 1.529 0.939 0 CA-C-N 118.198 0.454 . . . . 0.0 113.225 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 62.33 10.77 4.09 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -144.7 151.98 39.73 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 120.598 -1.314 . . . . 0.0 112.083 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.0 t -109.98 141.24 43.04 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -169.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -138.59 148.12 43.77 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.698 1.999 . . . . 0.0 110.139 -173.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.0 m -89.03 136.93 32.75 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.538 0.608 . . . . 0.0 112.212 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -144.23 125.7 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.814 1.245 . . . . 0.0 112.643 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 . . . . . 0 C--O 1.255 1.345 0 C-N-CA 126.648 1.979 . . . . 0.0 112.731 177.233 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -68.35 147.76 51.68 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 122.173 0.987 . . . . 0.0 113.397 -170.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.3 t -51.31 127.49 19.78 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.696 1.998 . . . . 0.0 112.274 -173.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -122.65 107.73 12.29 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.579 1.152 . . . . 0.0 109.863 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.21 -51.27 11.23 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.593 1.557 . . . . 0.0 113.521 -168.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.4 mmm-85 -58.74 -39.94 82.37 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 119.519 1.054 . . . . 0.0 112.558 -172.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 35.1 mmm-85 -70.28 -31.6 69.03 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 126.547 1.939 . . . . 0.0 113.932 173.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.6 t -78.09 -42.71 31.22 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.023 1.329 . . . . 0.0 112.58 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -56.76 -33.92 67.06 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.587 1.155 . . . . 0.0 112.273 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 mt -55.56 -39.28 70.44 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 122.574 1.178 . . . . 0.0 112.641 174.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.9 t -80.62 -37.68 30.65 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 126.032 1.733 . . . . 0.0 110.203 -174.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.1 m -72.46 -32.18 66.05 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.398 -0.814 . . . . 0.0 112.536 173.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -55.81 -35.87 66.81 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.578 1.551 . . . . 0.0 111.827 170.274 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.9 p -66.46 -17.08 64.59 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 174.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.1 mt -94.53 -23.1 17.82 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.492 1.517 . . . . 0.0 112.654 172.643 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.92 40.83 8.48 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.564 1.078 . . . . 0.0 113.39 -170.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.69 170.8 19.36 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.081 1.352 . . . . 0.0 112.951 175.146 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.7 mt -76.08 157.69 32.63 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.362 1.065 . . . . 0.0 113.561 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.0 129.24 8.81 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 126.027 1.775 . . . . 0.0 111.26 168.138 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -149.3 164.65 34.25 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.735 1.214 . . . . 0.0 112.3 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.6 m -74.1 136.74 42.99 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -173.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.3 mt -142.44 103.9 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.795 1.238 . . . . 0.0 108.678 169.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.7 49.78 22.45 Favored Glycine 0 CA--C 1.538 1.486 0 O-C-N 121.453 -0.78 . . . . 0.0 114.655 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 61.39 15.04 6.23 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 126.455 1.902 . . . . 0.0 116.038 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -141.14 149.47 41.57 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.51 1.524 . . . . 0.0 109.347 170.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.8 t -74.36 148.12 41.55 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.18 -0.95 . . . . 0.0 113.413 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -143.75 148.18 35.27 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.21 2.204 . . . . 0.0 109.473 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.1 m -86.62 138.67 31.49 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.909 -0.495 . . . . 0.0 112.312 176.054 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.7 m -146.51 136.72 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.357 1.463 . . . . 0.0 113.324 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 . . . . . 0 C--O 1.255 1.377 0 C-N-CA 126.554 1.942 . . . . 0.0 113.679 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.707 0 CA-C-O 120.534 0.207 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -92.34 157.41 16.64 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.544 1.538 . . . . 0.0 112.661 177.869 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.8 t -60.04 134.57 57.17 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.176 0.99 . . . . 0.0 112.701 173.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -84.86 59.35 5.52 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.863 1.665 . . . . 0.0 112.881 -173.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.8 tp -64.12 -46.19 85.28 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -168.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -60.27 -43.93 95.76 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 120.191 1.36 . . . . 0.0 112.798 -175.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -66.31 -31.5 72.33 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.889 1.275 . . . . 0.0 113.156 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.5 t -68.37 -58.67 4.01 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.453 0.701 . . . . 0.0 110.253 169.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -51.42 -43.34 61.97 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.112 1.765 . . . . 0.0 114.366 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -69.33 -33.94 73.89 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.647 0.658 . . . . 0.0 112.449 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 t -73.5 -36.25 65.73 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.146 0.978 . . . . 0.0 111.864 176.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.7 m -64.78 -37.18 86.74 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.195 0.998 . . . . 0.0 111.07 171.26 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -63.09 -28.38 70.03 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.227 1.011 . . . . 0.0 113.45 174.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.0 m -64.13 -33.25 75.35 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.122 0.874 . . . . 0.0 112.559 170.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.6 mt -76.42 -40.79 49.73 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.552 -0.718 . . . . 0.0 111.198 170.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.36 14.5 8.22 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 126.252 1.882 . . . . 0.0 114.55 -172.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.27 168.85 9.48 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.177 1.391 . . . . 0.0 111.051 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 mt -83.45 159.39 21.77 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.329 1.052 . . . . 0.0 110.245 171.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.2 146.97 17.8 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 123.762 0.696 . . . . 0.0 111.828 169.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -144.99 135.31 24.13 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 118.31 1.055 . . . . 0.0 112.331 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.4 m -70.95 131.04 43.12 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.158 0.983 . . . . 0.0 112.128 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.4 tt -148.31 117.31 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 126.114 1.766 . . . . 0.0 109.684 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.23 35.72 91.95 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.272 0.939 . . . . 0.0 114.378 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 63.2 2.0 1.02 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 127.038 2.135 . . . . 0.0 115.434 -170.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -106.75 -170.89 1.79 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.589 1.956 . . . . 0.0 108.958 168.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.6 t -144.54 151.94 39.83 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 120.435 -1.416 . . . . 0.0 111.888 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -138.0 161.35 36.95 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.439 1.096 . . . . 0.0 111.163 169.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.1 m -92.33 140.76 29.27 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.889 0.875 . . . . 0.0 112.418 173.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.4 m -144.29 136.54 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 126.176 1.79 . . . . 0.0 111.449 -175.516 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . 0.252 0.0 OUTLIER . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.257 1.823 . . . . 0.0 111.925 -176.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -65.19 147.23 53.82 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.245 1.018 . . . . 0.0 113.711 -174.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.4 t -62.12 137.41 58.25 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.767 2.027 . . . . 0.0 112.548 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -96.72 90.74 5.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.94 1.296 . . . . 0.0 110.045 175.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.87 -45.21 86.97 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.986 0.914 . . . . 0.0 112.779 -175.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.5 mmm-85 -59.64 -45.13 92.92 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.542 1.065 . . . . 0.0 110.98 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -58.92 -32.27 69.41 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.901 0.88 . . . . 0.0 112.919 172.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.3 t -75.41 -39.91 58.43 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.467 -0.77 . . . . 0.0 111.955 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -55.36 -40.15 70.94 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.681 -0.676 . . . . 0.0 111.761 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.64 -43.56 93.27 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.232 1.413 . . . . 0.0 112.293 175.282 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 t -65.55 -43.63 89.3 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.623 1.169 . . . . 0.0 110.818 -176.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.1 m -72.85 -37.75 67.29 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.701 -0.625 . . . . 0.0 111.753 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -57.2 -34.15 68.23 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.127 0.971 . . . . 0.0 111.431 169.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.2 m -73.97 -4.32 34.49 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.432 1.493 . . . . 0.0 114.427 173.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 mt -102.52 -25.74 13.49 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.153 1.381 . . . . 0.0 112.167 167.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.73 22.59 6.59 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 126.326 1.917 . . . . 0.0 115.055 -172.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.04 174.89 11.82 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.172 1.486 . . . . 0.0 114.775 -173.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.3 mt -83.69 171.26 13.41 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.267 1.427 . . . . 0.0 112.167 176.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.65 159.97 23.36 Favored Glycine 0 N--CA 1.472 1.079 0 C-N-CA 124.837 1.208 . . . . 0.0 114.264 175.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -151.68 138.89 19.27 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.604 1.562 . . . . 0.0 112.234 173.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.6 m -72.89 134.31 44.76 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.764 -0.585 . . . . 0.0 110.604 172.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.3 mt -131.95 83.62 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 177.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.09 -138.06 20.11 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.516 1.055 . . . . 0.0 111.359 -167.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -83.28 9.81 9.94 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -142.83 154.1 43.85 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 120.609 -1.307 . . . . 0.0 110.129 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.8 t -102.48 144.84 30.41 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 124.141 0.976 . . . . 0.0 111.899 -176.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -117.99 130.84 56.43 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.813 1.245 . . . . 0.0 109.821 171.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.0 m -77.35 136.7 38.47 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.074 0.55 . . . . 0.0 110.293 171.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.1 m -131.61 123.21 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.57 1.548 . . . . 0.0 111.044 -176.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 . . . . . 0 C--O 1.252 1.226 0 C-N-CA 128.392 2.677 . . . . 0.0 115.86 -169.286 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 119.098 -0.477 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -71.28 144.29 50.05 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 118.872 0.76 . . . . 0.0 112.922 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.9 p -69.97 136.12 50.13 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.523 0.729 . . . . 0.0 111.552 169.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -85.61 61.04 6.61 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.793 1.637 . . . . 0.0 110.75 -176.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.66 -46.13 91.5 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.885 1.674 . . . . 0.0 114.047 -169.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -66.79 -41.35 87.75 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 121.07 -1.019 . . . . 0.0 112.687 -173.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -66.69 -31.97 72.97 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.48 1.112 . . . . 0.0 112.783 170.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.0 t -69.15 -45.47 70.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.828 1.251 . . . . 0.0 112.284 175.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -54.83 -41.76 71.08 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.761 -1.212 . . . . 0.0 111.908 173.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.2 tp -67.88 -30.91 70.39 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.675 1.99 . . . . 0.0 112.644 176.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.4 t -70.19 -48.29 57.8 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.396 -0.815 . . . . 0.0 111.567 170.105 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.9 m -65.33 -30.57 71.42 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.207 -0.933 . . . . 0.0 112.326 -177.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -51.52 -32.81 29.24 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.614 1.566 . . . . 0.0 112.817 169.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.2 t -63.69 -34.06 77.02 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.017 0.927 . . . . 0.0 112.982 176.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -78.93 -21.6 47.03 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.502 1.121 . . . . 0.0 112.42 173.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.17 31.06 15.1 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.366 1.46 . . . . 0.0 114.343 -170.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.56 168.37 19.93 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.369 1.068 . . . . 0.0 112.805 177.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -83.3 157.16 22.72 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.117 0.967 . . . . 0.0 112.825 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -109.21 145.09 16.6 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.904 1.24 . . . . 0.0 112.616 172.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -135.6 138.25 42.74 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.981 1.313 . . . . 0.0 112.775 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.2 t -72.27 135.05 45.9 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.392 1.077 . . . . 0.0 111.872 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.7 mt -124.54 78.78 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 125.709 1.604 . . . . 0.0 108.916 172.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.82 -89.59 0.24 Allowed Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.698 1.142 . . . . 0.0 112.357 -173.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -119.4 -8.03 10.11 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.872 1.669 . . . . 0.0 113.607 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -86.88 164.29 16.68 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.78 1.632 . . . . 0.0 110.055 168.262 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.6 t -143.37 129.66 19.88 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 120.995 -1.066 . . . . 0.0 111.477 168.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -123.02 141.88 51.47 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.45 1.5 . . . . 0.0 111.104 -170.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.4 m -84.66 139.74 31.82 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.032 0.533 . . . . 0.0 111.114 172.099 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.8 m -135.36 124.08 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 CA-C-O 121.774 0.797 . . . . 0.0 112.163 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.527 0 C-N-CA 126.885 2.074 . . . . 0.0 111.098 175.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -60.08 158.18 11.62 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -168.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.6 p -59.86 134.44 57.03 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.735 0.814 . . . . 0.0 111.204 174.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -83.15 53.01 2.33 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.564 1.145 . . . . 0.0 112.388 -173.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -51.33 -50.02 60.25 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.145 1.378 . . . . 0.0 114.497 -168.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -71.71 -38.91 70.47 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 121.225 -0.922 . . . . 0.0 111.914 -173.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -73.75 -28.93 61.94 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.829 1.251 . . . . 0.0 113.032 174.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.8 t -66.81 -54.66 20.25 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 126.058 1.743 . . . . 0.0 110.322 171.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -50.25 -52.59 34.9 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.32 1.048 . . . . 0.0 112.581 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 pp -64.55 -30.72 71.75 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.728 0.695 . . . . 0.0 112.442 -177.402 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.2 m -75.41 -40.96 57.13 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.339 1.056 . . . . 0.0 112.702 175.585 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.1 m -67.02 -38.09 85.31 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.393 1.077 . . . . 0.0 111.557 176.519 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -65.23 -30.19 71.05 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.212 1.405 . . . . 0.0 112.84 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -64.65 -37.87 89.05 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 169.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.1 mt -71.92 -13.9 61.78 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 120.904 -1.122 . . . . 0.0 113.05 171.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.06 22.54 48.47 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.836 1.207 . . . . 0.0 114.758 -174.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.497 HD12 ' CB ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -109.75 -168.82 1.37 Allowed 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.821 1.311 . . . . 0.0 109.88 170.838 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.3 mt -115.39 169.86 8.83 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.977 1.711 . . . . 0.0 108.8 166.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.94 148.46 18.9 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 124.121 0.867 . . . . 0.0 114.275 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -140.63 130.64 24.69 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 127.033 2.133 . . . . 0.0 111.66 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.6 t -82.21 133.03 35.24 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.051 0.94 . . . . 0.0 111.974 171.356 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.3 pt -116.96 -161.31 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 C-N-CA 128.176 2.59 . . . . 0.0 109.938 175.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.18 94.4 0.06 OUTLIER Glycine 0 CA--C 1.539 1.593 0 O-C-N 120.796 -1.19 . . . . 0.0 114.221 176.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 57.56 20.99 6.66 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 128.774 2.83 . . . . 0.0 116.793 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -149.53 168.26 24.0 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.585 -1.322 . . . . 0.0 111.032 167.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.0 t -122.4 138.24 54.6 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.142 -0.974 . . . . 0.0 111.801 174.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -126.53 161.68 27.42 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.006 1.323 . . . . 0.0 111.071 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.497 ' CB ' HD12 ' A' ' 17' ' ' LEU . 13.3 m -86.53 156.58 20.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.035 0.445 . . . . 0.0 112.197 174.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -154.12 130.09 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 126.38 1.872 . . . . 0.0 109.606 -176.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--O 1.252 1.199 0 C-N-CA 124.874 1.269 . . . . 0.0 112.339 177.934 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -73.83 156.01 38.2 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -170.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.9 p -80.64 132.39 35.59 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.468 1.107 . . . . 0.0 111.137 169.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -91.06 78.24 5.95 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.491 1.516 . . . . 0.0 111.706 -174.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.2 tp -67.72 -40.38 84.26 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 -169.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -64.38 -44.6 90.84 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.355 0.98 . . . . 0.0 112.274 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -69.77 -33.09 71.93 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.415 1.086 . . . . 0.0 112.418 175.41 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.4 t -65.23 -51.2 62.43 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.786 0.834 . . . . 0.0 111.755 173.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.36 -46.45 69.57 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.115 0.966 . . . . 0.0 112.09 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.0 tp -67.07 -27.91 67.76 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.451 1.9 . . . . 0.0 112.631 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.8 t -80.47 -36.91 32.81 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.4 1.48 . . . . 0.0 113.075 172.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.2 m -69.81 -30.22 67.7 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.061 -1.024 . . . . 0.0 111.922 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -59.93 -24.96 64.77 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.001 0.92 . . . . 0.0 112.561 174.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.6 m -66.06 -27.1 67.83 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.692 1.197 . . . . 0.0 113.37 172.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -85.69 -18.22 33.77 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.522 1.129 . . . . 0.0 112.205 169.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.56 31.11 19.73 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.433 1.492 . . . . 0.0 113.988 -172.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.425 HD12 ' HB3' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -143.54 167.74 21.5 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.579 1.19 . . . . 0.0 114.156 177.607 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.9 mt -72.72 160.34 32.36 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.546 1.538 . . . . 0.0 113.189 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.36 142.91 15.19 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.86 1.695 . . . . 0.0 113.769 170.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -140.18 142.58 35.91 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.413 1.485 . . . . 0.0 113.567 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.1 t -73.68 140.05 45.8 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.433 1.093 . . . . 0.0 112.665 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.9 pt -118.61 7.6 6.82 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 C-N-CA 126.809 2.044 . . . . 0.0 114.424 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.95 -99.65 0.26 Allowed Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.922 1.725 . . . . 0.0 111.417 -175.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -101.11 4.02 41.78 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.481 1.512 . . . . 0.0 112.887 171.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -129.81 172.5 11.6 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 126.714 2.005 . . . . 0.0 111.782 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 46.1 t -142.44 135.89 28.92 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.881 0.872 . . . . 0.0 111.751 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -119.65 143.16 47.86 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 127.519 2.327 . . . . 0.0 109.873 -169.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.425 ' HB3' HD12 ' A' ' 17' ' ' LEU . 11.0 m -88.96 144.73 25.97 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.131 0.423 . . . . 0.0 111.936 174.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.54 128.5 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.893 1.277 . . . . 0.0 112.624 -178.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.186 1.794 . . . . 0.0 112.456 -179.545 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 120.657 0.265 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -89.64 172.7 8.76 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.148 1.379 . . . . 0.0 112.879 177.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.2 p -66.78 154.67 40.22 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 -169.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -75.15 150.1 38.83 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.655 1.982 . . . . 0.0 113.715 -175.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 tt -128.51 -67.26 0.8 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.364 1.066 . . . . 0.0 111.869 -173.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -59.04 -43.73 91.69 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 119.979 1.263 . . . . 0.0 112.109 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -69.66 -25.31 63.84 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 175.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.5 t -70.99 -52.27 20.66 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.438 0.695 . . . . 0.0 110.541 170.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -53.54 -50.81 64.69 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.187 0.995 . . . . 0.0 112.54 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -29.95 70.74 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.546 -0.721 . . . . 0.0 112.906 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.9 t -67.38 -32.81 73.97 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.306 1.043 . . . . 0.0 112.729 171.335 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.3 m -78.35 -27.01 46.94 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 118.744 -0.646 . . . . 0.0 112.503 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.5 mmt-85 -57.84 -31.86 67.07 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.805 1.184 . . . . 0.0 112.541 168.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.6 m -65.39 -18.93 65.7 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 173.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.8 mt -95.83 -26.55 15.59 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.66 1.184 . . . . 0.0 111.961 168.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.45 26.59 8.59 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 127.253 2.359 . . . . 0.0 115.111 -175.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.53 177.72 7.39 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.665 1.586 . . . . 0.0 113.355 -176.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.5 mt -75.69 164.03 26.69 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.211 1.804 . . . . 0.0 111.831 168.671 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.32 142.79 13.85 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.277 0.941 . . . . 0.0 114.281 174.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -141.3 150.92 43.16 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.496 1.918 . . . . 0.0 111.129 174.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.8 t -78.91 127.47 32.05 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.565 -0.709 . . . . 0.0 110.724 168.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.8 mm -133.73 122.91 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 126.742 2.017 . . . . 0.0 108.035 177.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.3 44.26 96.66 Favored Glycine 0 CA--C 1.536 1.372 0 O-C-N 121.425 -0.797 . . . . 0.0 114.052 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 67.79 13.91 9.32 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 125.957 1.703 . . . . 0.0 115.564 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -139.4 156.52 46.93 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 127.183 2.193 . . . . 0.0 111.776 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.6 t -64.85 138.26 58.27 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.02 -1.05 . . . . 0.0 112.887 171.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -136.74 129.54 30.66 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 128.181 2.592 . . . . 0.0 108.634 169.804 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 55.7 m -86.68 146.59 26.24 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.562 -0.711 . . . . 0.0 111.68 174.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.7 m -141.26 132.11 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 124.202 1.001 . . . . 0.0 113.375 -169.635 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 C--O 1.251 1.164 0 C-N-CA 123.973 0.909 . . . . 0.0 110.7 167.347 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.802 0 CA-C-O 121.481 0.658 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -83.74 171.1 13.51 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.187 0.995 . . . . 0.0 110.201 166.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 t -55.94 126.66 26.78 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.511 1.124 . . . . 0.0 111.679 169.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -76.49 58.85 1.39 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.356 1.863 . . . . 0.0 111.496 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.12 -49.36 76.19 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.243 1.817 . . . . 0.0 113.88 -168.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -63.51 -43.11 98.16 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.745 1.157 . . . . 0.0 113.68 -172.205 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -71.93 -29.14 63.98 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.075 0.95 . . . . 0.0 112.886 174.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.6 t -66.51 -58.01 6.11 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.6 0.76 . . . . 0.0 110.206 172.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.59 -47.44 73.33 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.155 1.382 . . . . 0.0 113.203 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 pp -63.11 -33.95 76.56 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.227 0.921 . . . . 0.0 111.662 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.3 m -68.19 -45.91 72.1 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.38 0.672 . . . . 0.0 111.702 172.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.9 m -61.0 -42.79 99.13 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.287 1.035 . . . . 0.0 112.212 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -67.05 -25.47 66.27 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 125.152 1.381 . . . . 0.0 112.167 -177.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.4 p -65.43 -27.75 68.75 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 170.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt -87.38 -14.04 41.75 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.929 1.292 . . . . 0.0 113.118 174.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.92 15.67 55.87 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.837 1.208 . . . . 0.0 114.904 -174.204 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.19 174.14 6.39 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.156 1.383 . . . . 0.0 111.117 176.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.5 mt -107.3 148.32 29.14 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.462 1.105 . . . . 0.0 111.645 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.77 144.33 17.11 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.121 0.867 . . . . 0.0 113.01 175.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -144.23 145.17 31.89 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.205 1.002 . . . . 0.0 112.73 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.3 m -81.78 104.31 12.07 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.524 1.13 . . . . 0.0 111.198 176.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.5 mt -89.1 58.87 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.368 1.467 . . . . 0.0 108.235 175.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.5 -135.01 12.25 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 125.322 1.439 . . . . 0.0 111.274 -167.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.539 ' H ' ' CD ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -78.82 -4.62 50.43 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.522 1.529 . . . . 0.0 113.801 177.407 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -118.56 142.11 47.93 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.208 2.203 . . . . 0.0 110.942 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.5 t -111.02 145.19 38.9 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.212 1.005 . . . . 0.0 112.788 -175.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -139.05 143.52 38.42 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.445 1.098 . . . . 0.0 112.009 176.451 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.9 m -85.81 133.85 33.96 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.134 0.973 . . . . 0.0 111.989 171.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.22 134.15 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 N-CA-C 115.243 1.571 . . . . 0.0 115.243 -173.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 127.032 2.133 . . . . 0.0 111.619 168.332 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.585 0 CA-C-O 120.306 0.098 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -89.57 161.8 15.99 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.058 0.943 . . . . 0.0 111.01 169.032 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.9 p -73.58 129.76 38.63 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.218 -0.926 . . . . 0.0 110.448 169.513 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -85.14 69.23 10.75 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.547 1.539 . . . . 0.0 110.584 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.98 -45.08 95.21 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.933 1.293 . . . . 0.0 113.319 -170.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.39 -49.47 73.71 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.341 0.973 . . . . 0.0 113.014 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -56.03 -35.43 66.87 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.851 0.86 . . . . 0.0 112.06 172.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.1 t -71.43 -53.09 15.18 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.731 1.212 . . . . 0.0 111.892 177.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -54.18 -44.99 72.0 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.701 1.591 . . . . 0.0 112.579 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.34 -25.6 62.46 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 122.707 0.403 . . . . 0.0 111.844 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.6 t -71.38 -45.31 63.16 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.773 0.829 . . . . 0.0 111.664 168.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.7 m -65.26 -23.45 67.05 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.729 1.612 . . . . 0.0 112.302 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -56.31 -33.44 65.57 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.747 1.219 . . . . 0.0 112.616 170.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.6 p -71.4 -5.58 33.81 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 175.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.6 mt -105.05 -16.7 14.73 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.376 1.47 . . . . 0.0 111.875 168.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.78 21.89 27.39 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.117 1.341 . . . . 0.0 115.236 -175.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.08 171.69 14.51 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.392 1.077 . . . . 0.0 113.66 -173.788 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.6 mt -81.55 170.37 15.96 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.602 1.161 . . . . 0.0 112.58 176.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.3 141.68 15.95 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.285 1.422 . . . . 0.0 111.879 173.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -120.79 129.96 53.8 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.114 2.166 . . . . 0.0 110.908 -174.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.2 t -73.98 131.2 41.17 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.751 0.82 . . . . 0.0 112.43 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.7 mt -123.92 75.59 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 127.166 2.186 . . . . 0.0 108.703 176.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.38 -98.4 0.66 Allowed Glycine 0 CA--C 1.531 1.059 0 C-N-CA 124.475 1.036 . . . . 0.0 113.613 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 pm0 -99.51 -1.84 37.38 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.26 1.424 . . . . 0.0 113.944 174.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -123.75 173.81 7.9 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.055 1.342 . . . . 0.0 111.321 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.7 t -143.24 148.29 36.19 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 121.161 -0.962 . . . . 0.0 111.522 173.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -137.37 137.43 38.86 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.156 1.382 . . . . 0.0 110.946 -172.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.8 m -78.96 135.47 36.95 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.905 -0.497 . . . . 0.0 112.129 -177.635 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.5 m -131.95 125.29 54.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.53 1.132 . . . . 0.0 112.807 -173.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 128.532 2.733 . . . . 0.0 114.474 178.614 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.64 0 CA-C-O 120.978 0.418 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -80.0 162.3 24.96 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.222 1.409 . . . . 0.0 112.922 -176.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.6 p -57.49 135.52 56.62 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.897 1.279 . . . . 0.0 113.297 173.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -75.69 67.64 2.17 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.782 2.033 . . . . 0.0 111.122 -176.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.9 tp -58.04 -37.98 75.41 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.335 -1.478 . . . . 0.0 113.274 -173.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -64.89 -22.39 66.99 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.248 1.019 . . . . 0.0 113.176 177.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -93.82 -21.87 19.01 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.616 1.566 . . . . 0.0 113.081 173.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 51.8 t -71.73 -44.95 63.22 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.371 1.069 . . . . 0.0 111.532 169.675 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.12 -49.47 73.8 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.912 0.885 . . . . 0.0 112.252 174.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.66 -25.44 64.82 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.343 -0.848 . . . . 0.0 113.173 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.7 t -69.91 -51.21 34.93 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.877 1.271 . . . . 0.0 111.337 172.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.2 m -68.14 -25.48 65.3 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.132 -0.98 . . . . 0.0 113.038 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -59.67 -18.23 40.42 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 168.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.6 t -61.36 -34.22 74.95 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.284 0.947 . . . . 0.0 112.711 169.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.0 mt -83.95 -34.57 24.41 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.34 1.056 . . . . 0.0 111.142 168.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.23 3.94 31.08 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 126.328 1.918 . . . . 0.0 114.484 -176.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.06 173.38 7.07 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.187 1.395 . . . . 0.0 111.333 176.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 pp -75.59 154.16 36.9 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.13 0.972 . . . . 0.0 112.12 170.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.93 140.72 15.04 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 124.875 1.226 . . . . 0.0 111.307 169.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -135.58 137.71 42.25 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.174 1.389 . . . . 0.0 109.601 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.3 t -88.19 122.32 31.61 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.5 0.667 . . . . 0.0 110.58 173.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.8 mm -89.85 65.63 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 124.66 1.184 . . . . 0.0 108.904 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.83 -46.19 1.41 Allowed Glycine 0 CA--C 1.536 1.353 0 C-N-CA 126.625 2.06 . . . . 0.0 115.06 -175.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -140.65 -13.79 0.97 Allowed 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 -175.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -137.78 145.32 42.24 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 120.992 -1.067 . . . . 0.0 111.926 -170.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 29.0 t -80.72 136.41 36.16 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.575 1.15 . . . . 0.0 113.204 -175.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -138.99 143.53 38.54 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.406 1.483 . . . . 0.0 110.307 169.509 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.8 m -97.12 141.46 30.22 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.794 0.838 . . . . 0.0 111.158 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.0 m -141.36 141.35 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 . . . . . 0 C--O 1.252 1.23 0 C-N-CA 127.287 2.235 . . . . 0.0 115.227 -173.284 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -71.41 148.74 46.63 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.671 0.788 . . . . 0.0 112.643 174.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 48.9 t -82.57 135.16 35.15 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.906 0.882 . . . . 0.0 112.595 172.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -84.09 68.55 10.12 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.093 1.757 . . . . 0.0 112.244 173.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.48 -42.59 96.59 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 120.995 -1.066 . . . . 0.0 112.157 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -66.48 -50.52 63.02 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 -65.67 -18.74 65.54 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 175.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.4 t -81.44 -55.76 4.48 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.482 1.113 . . . . 0.0 112.794 170.331 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -52.96 -41.39 64.49 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.558 1.543 . . . . 0.0 113.017 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 pp -61.49 -32.88 72.92 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.396 0.544 . . . . 0.0 112.394 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.6 p -71.74 -43.83 65.15 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.433 -0.792 . . . . 0.0 112.076 174.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.1 m -60.92 -29.71 69.76 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.75 0.82 . . . . 0.0 110.811 175.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -34.72 76.88 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.612 1.165 . . . . 0.0 112.628 173.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.9 t -64.24 -36.38 83.9 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.849 0.86 . . . . 0.0 111.814 173.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -77.64 -19.51 55.34 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.137 0.975 . . . . 0.0 112.547 174.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.13 27.32 40.94 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 125.445 1.498 . . . . 0.0 114.685 -176.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.62 170.91 15.29 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.128 1.771 . . . . 0.0 112.715 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.4 mt -79.4 152.19 30.5 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.959 1.304 . . . . 0.0 113.875 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.74 147.23 17.42 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 125.762 1.649 . . . . 0.0 112.472 168.641 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -141.74 132.0 24.98 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.5 1.52 . . . . 0.0 111.375 -175.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.5 m -75.17 130.5 39.29 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.484 -0.76 . . . . 0.0 111.668 172.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.9 mt -126.08 72.72 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.647 1.579 . . . . 0.0 107.239 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.93 -147.56 30.75 Favored Glycine 0 CA--C 1.537 1.432 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 -165.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.0 pm0 -69.74 3.78 2.33 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 -173.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -141.32 152.32 44.34 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.802 1.641 . . . . 0.0 111.647 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.8 t -105.63 155.78 18.89 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.04 1.336 . . . . 0.0 113.268 -177.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -143.88 146.1 32.77 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.276 2.231 . . . . 0.0 109.96 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 m -83.54 150.87 25.69 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.526 0.731 . . . . 0.0 112.517 178.262 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 m -144.39 130.56 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.923 1.689 . . . . 0.0 111.665 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 . . . . . 0 C--O 1.255 1.355 0 C-N-CA 125.165 1.386 . . . . 0.0 112.433 175.582 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.978 0 CA-C-O 119.188 -0.435 . . . . 0.0 111.423 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -53.55 135.02 40.87 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.042 1.337 . . . . 0.0 113.505 -174.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.8 p -74.4 146.28 43.07 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 -169.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -72.06 50.68 0.21 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 128.474 2.709 . . . . 0.0 114.169 174.241 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.76 -50.85 71.88 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.758 1.223 . . . . 0.0 114.193 -169.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -57.79 -43.08 85.38 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.995 1.271 . . . . 0.0 112.598 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 50.8 mmm-85 -71.17 -25.3 62.48 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.595 1.158 . . . . 0.0 113.417 176.759 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 t -76.95 -49.32 15.79 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.982 0.913 . . . . 0.0 112.769 173.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -53.99 -40.39 66.88 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 118.788 0.722 . . . . 0.0 112.161 -178.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -70.92 -24.26 62.42 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.3 t -70.6 -48.94 52.62 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.222 -0.924 . . . . 0.0 111.476 171.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.7 m -64.15 -31.1 72.18 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.271 1.028 . . . . 0.0 112.521 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -53.56 -32.03 49.08 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.072 1.749 . . . . 0.0 112.601 173.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.2 p -71.19 -32.42 68.85 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.5 mt -76.67 -26.66 55.04 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.124 0.97 . . . . 0.0 111.502 177.491 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.55 24.3 11.22 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 125.792 1.663 . . . . 0.0 114.579 -174.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.11 167.13 22.93 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.08 1.352 . . . . 0.0 112.697 -178.077 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 38.3 mt -82.68 151.0 26.45 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.642 0.777 . . . . 0.0 112.612 -177.606 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.49 127.85 9.3 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 168.409 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -124.45 122.85 38.78 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 118.121 0.961 . . . . 0.0 110.793 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.2 t -85.15 109.39 18.25 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.335 1.054 . . . . 0.0 111.378 176.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.2 mt -140.37 121.37 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 124.889 1.276 . . . . 0.0 108.833 -177.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.23 31.14 35.26 Favored Glycine 0 CA--C 1.536 1.354 0 O-C-N 121.721 -0.612 . . . . 0.0 113.508 -171.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 58.91 34.21 23.5 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.211 1.804 . . . . 0.0 112.294 -176.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -156.5 138.49 14.45 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.586 1.554 . . . . 0.0 110.336 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.4 t -98.26 137.27 37.25 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -137.23 139.12 40.82 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 127.222 2.209 . . . . 0.0 109.276 -175.57 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.2 m -81.83 128.34 33.92 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.178 0.591 . . . . 0.0 111.245 178.175 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.6 m -144.8 143.35 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.886 1.674 . . . . 0.0 113.086 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 127.949 2.499 . . . . 0.0 115.465 179.905 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.588 0 CA-C-O 120.628 0.252 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -76.57 175.42 9.29 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.461 1.104 . . . . 0.0 111.86 170.071 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.5 p -51.58 137.8 23.91 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.052 0.941 . . . . 0.0 112.923 175.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -75.23 58.5 0.94 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.933 2.093 . . . . 0.0 112.859 -170.355 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.2 tp -59.16 -33.66 71.18 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.837 1.655 . . . . 0.0 113.686 -171.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -42.01 76.2 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 120.292 1.405 . . . . 0.0 112.563 176.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -67.99 -30.33 69.56 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.988 1.315 . . . . 0.0 112.019 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.0 t -71.64 -52.27 18.86 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.339 1.056 . . . . 0.0 111.969 169.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -53.61 -39.11 64.66 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.602 1.161 . . . . 0.0 112.416 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -69.97 -34.6 73.59 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.32 0.964 . . . . 0.0 113.035 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.4 m -68.75 -34.73 76.08 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.797 0.726 . . . . 0.0 112.897 173.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.9 m -77.06 -30.42 55.57 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.603 -0.685 . . . . 0.0 111.721 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.6 ttp85 -57.43 -36.03 70.84 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.8 1.24 . . . . 0.0 112.879 173.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.2 m -63.49 -35.85 81.81 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.05 0.54 . . . . 0.0 112.327 173.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt -72.87 -28.3 62.43 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.125 0.875 . . . . 0.0 112.852 173.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.22 34.99 7.75 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.831 1.205 . . . . 0.0 113.447 -171.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.68 166.99 23.62 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.505 1.122 . . . . 0.0 111.917 175.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.1 mt -74.66 160.33 30.95 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.961 0.904 . . . . 0.0 112.46 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.89 135.18 12.31 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.903 1.239 . . . . 0.0 110.782 169.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -137.96 142.37 40.51 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.416 1.487 . . . . 0.0 111.442 -177.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.0 t -91.1 134.22 34.7 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.833 1.253 . . . . 0.0 111.988 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.8 tt -150.4 103.57 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 125.154 1.382 . . . . 0.0 111.264 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.22 51.78 5.98 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.007 1.289 . . . . 0.0 114.397 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 64.6 14.48 9.02 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.899 1.68 . . . . 0.0 115.424 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -148.17 154.41 40.1 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.155 1.382 . . . . 0.0 110.648 171.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.6 t -115.38 139.32 50.11 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 124.779 1.231 . . . . 0.0 113.733 -173.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -127.6 168.26 15.24 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 127.565 2.346 . . . . 0.0 111.08 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.4 m -93.45 143.53 26.2 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.4 m -141.38 127.55 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.357 1.063 . . . . 0.0 112.556 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 . . . . . 0 C--O 1.252 1.237 0 C-N-CA 126.272 1.829 . . . . 0.0 112.352 170.073 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -59.82 149.67 30.55 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.539 0.685 . . . . 0.0 112.161 177.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.6 t -73.25 152.5 40.99 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.115 0.966 . . . . 0.0 111.055 175.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -118.61 103.95 10.18 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.0 1.32 . . . . 0.0 109.803 177.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.0 tp -56.2 -39.57 72.64 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.468 1.107 . . . . 0.0 113.729 -168.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -66.8 -35.53 80.27 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.41 -33.28 60.94 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.933 1.693 . . . . 0.0 112.365 176.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.6 t -64.9 -53.06 52.54 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.87 0.868 . . . . 0.0 110.824 170.754 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.61 -48.94 74.06 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.007 1.323 . . . . 0.0 113.417 177.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.14 -26.68 67.55 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.677 0.671 . . . . 0.0 112.528 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.0 m -74.81 -43.18 56.04 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.968 0.907 . . . . 0.0 112.032 173.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 57.6 m -67.49 -25.47 65.88 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.098 0.959 . . . . 0.0 112.411 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -33.41 23.3 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.994 1.718 . . . . 0.0 113.842 170.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.6 t -70.56 -33.4 71.06 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.849 0.86 . . . . 0.0 112.511 177.651 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.1 mt -74.83 -29.79 61.17 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.355 -0.841 . . . . 0.0 112.331 175.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.15 31.14 5.43 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 125.848 1.689 . . . . 0.0 114.411 -173.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.8 173.9 14.19 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -175.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.41 152.33 30.4 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.0 1.32 . . . . 0.0 113.322 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.55 149.36 18.38 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 125.121 1.343 . . . . 0.0 113.592 174.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -145.67 144.2 30.27 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.424 1.489 . . . . 0.0 112.385 178.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 92.9 m -89.82 133.66 34.61 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.376 1.07 . . . . 0.0 111.285 173.207 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.7 tt -154.85 132.09 2.27 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 126.199 1.799 . . . . 0.0 110.749 177.354 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.45 37.18 93.69 Favored Glycine 0 CA--C 1.542 1.739 0 O-C-N 120.529 -1.357 . . . . 0.0 114.609 176.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 59.19 29.33 18.87 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.558 1.543 . . . . 0.0 114.208 -172.058 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -147.76 149.96 33.36 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.24 -0.912 . . . . 0.0 113.317 177.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.1 t -77.35 141.6 39.77 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.088 1.355 . . . . 0.0 112.701 175.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -134.41 136.47 43.32 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.323 1.849 . . . . 0.0 109.913 169.013 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.8 m -97.84 139.86 33.07 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.115 0.566 . . . . 0.0 111.601 170.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.6 m -137.64 135.27 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 123.844 0.858 . . . . 0.0 113.107 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 . . . . . 0 C--O 1.254 1.315 0 C-N-CA 125.219 1.407 . . . . 0.0 112.9 176.414 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -78.91 144.7 34.62 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.834 0.853 . . . . 0.0 112.289 -176.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.1 t -57.73 153.4 13.64 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.314 1.446 . . . . 0.0 113.373 173.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -64.72 100.09 0.37 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.907 0.883 . . . . 0.0 110.647 168.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 61.7 tp -66.8 -44.99 79.79 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.07 1.348 . . . . 0.0 112.518 176.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -66.48 -40.91 89.59 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.33 -0.856 . . . . 0.0 112.57 -172.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -61.9 -25.83 67.8 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.678 1.191 . . . . 0.0 112.787 175.069 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.4 t -79.91 -51.8 8.66 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.881 1.272 . . . . 0.0 111.617 169.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -52.22 -43.29 64.19 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.59 -35.11 78.37 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.157 0.583 . . . . 0.0 112.495 179.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 t -70.65 -36.06 73.21 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.815 -0.553 . . . . 0.0 112.121 174.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.5 m -67.16 -30.96 71.07 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.322 -0.861 . . . . 0.0 112.314 172.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -59.94 -28.89 68.01 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.13 0.972 . . . . 0.0 112.316 174.314 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.3 m -64.42 -16.6 62.67 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.449 1.278 . . . . 0.0 114.449 173.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 mt -100.88 -14.76 17.81 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.712 1.205 . . . . 0.0 112.24 170.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.8 26.07 30.49 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.546 1.545 . . . . 0.0 114.813 -171.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.31 169.57 13.41 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.991 1.396 . . . . 0.0 113.307 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pp -88.0 158.99 18.48 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.238 1.015 . . . . 0.0 111.168 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -114.53 150.47 18.66 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.011 0.815 . . . . 0.0 114.255 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -141.26 150.35 42.49 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 128.16 2.584 . . . . 0.0 108.446 174.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.2 t -129.68 121.18 26.45 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.426 -0.796 . . . . 0.0 112.716 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.9 mt -135.03 133.91 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.35 1.06 . . . . 0.0 109.671 -175.364 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.78 44.36 96.36 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-O 119.257 -0.746 . . . . 0.0 112.812 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 63.39 3.23 1.35 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.31 2.244 . . . . 0.0 115.389 -172.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -123.31 133.29 54.16 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 120.865 -1.147 . . . . 0.0 113.799 -169.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.5 t -70.54 145.44 50.82 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.665 1.186 . . . . 0.0 113.463 178.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -140.86 145.05 35.69 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.047 1.739 . . . . 0.0 110.366 167.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.9 m -114.84 140.75 48.69 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.646 1.578 . . . . 0.0 111.743 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.7 m -139.13 137.77 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.983 0.913 . . . . 0.0 113.229 -178.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 . . . . . 0 C--O 1.262 1.747 0 C-N-CA 125.045 1.338 . . . . 0.0 110.469 169.423 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 110.619 -0.141 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -64.19 153.21 38.62 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -177.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.2 p -61.48 154.44 24.53 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.147 1.165 . . . . 0.0 114.147 -176.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -112.45 93.02 4.23 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.639 1.976 . . . . 0.0 111.64 -169.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.9 tp -68.08 -50.54 54.37 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -169.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.3 ttp85 -69.08 -28.66 66.71 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.84 -1.162 . . . . 0.0 112.924 -176.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -72.5 -30.56 64.61 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.291 1.037 . . . . 0.0 112.957 168.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.72 -47.76 71.3 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.461 0.573 . . . . 0.0 110.043 170.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -53.35 -50.39 65.13 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.204 1.001 . . . . 0.0 113.576 175.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.11 -29.79 67.94 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.584 0.629 . . . . 0.0 112.45 -178.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -72.17 -44.75 62.56 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.666 0.786 . . . . 0.0 111.853 174.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.1 m -65.15 -30.76 71.71 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.082 -1.012 . . . . 0.0 112.083 176.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -61.48 -23.57 65.98 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 118.093 -0.956 . . . . 0.0 112.83 176.188 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.5 p -61.42 -28.01 68.95 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.299 0.954 . . . . 0.0 113.232 170.718 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -84.32 -19.05 34.36 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.379 1.472 . . . . 0.0 112.927 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.11 22.1 18.46 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 125.716 1.626 . . . . 0.0 115.47 -172.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.79 169.03 21.38 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.151 1.38 . . . . 0.0 113.898 -174.07 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 pp -81.72 162.53 22.94 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.464 1.506 . . . . 0.0 113.499 -177.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -124.07 149.14 16.88 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.477 1.037 . . . . 0.0 115.431 176.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -139.11 159.97 40.89 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 127.343 2.257 . . . . 0.0 112.69 169.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.5 t -86.97 121.18 29.08 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.188 0.995 . . . . 0.0 111.357 170.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.2 mt -138.92 122.0 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 126.346 1.859 . . . . 0.0 108.48 -173.187 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.16 34.14 86.9 Favored Glycine 0 CA--C 1.537 1.458 0 O-C-N 121.228 -0.92 . . . . 0.0 114.035 -170.139 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 57.58 28.93 16.37 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 126.114 1.766 . . . . 0.0 115.244 -172.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -145.32 154.82 42.74 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.831 1.652 . . . . 0.0 110.855 172.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.8 t -62.19 142.13 57.82 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.732 -1.23 . . . . 0.0 113.4 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.1 tttt -141.06 141.05 34.32 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 126.749 2.02 . . . . 0.0 109.615 169.15 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.0 m -109.73 134.23 52.23 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.594 1.157 . . . . 0.0 111.685 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.8 m -133.33 135.37 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.332 1.053 . . . . 0.0 112.733 -177.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.537 1.535 . . . . 0.0 112.335 174.81 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.65 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -55.82 158.68 3.54 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.452 1.901 . . . . 0.0 113.651 176.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.6 p -72.38 136.56 46.14 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.716 0.77 . . . . 0.0 113.057 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -91.21 71.91 6.23 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.393 1.477 . . . . 0.0 108.868 174.583 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.6 tp -68.61 -42.45 78.13 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.069 0.947 . . . . 0.0 112.812 -169.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -44.01 89.64 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.256 0.935 . . . . 0.0 111.831 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -72.29 -27.08 62.23 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 173.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.2 -50.88 62.34 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.011 0.823 . . . . 0.0 110.824 171.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -56.7 -42.24 78.77 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.791 1.236 . . . . 0.0 113.833 -178.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -72.71 -28.63 62.78 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.044 0.386 . . . . 0.0 112.044 176.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.3 m -71.79 -39.79 69.66 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.383 0.673 . . . . 0.0 111.722 173.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.2 m -61.31 -28.9 69.54 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.804 1.241 . . . . 0.0 111.956 172.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -62.53 -22.25 66.16 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.873 0.869 . . . . 0.0 113.143 174.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.7 p -67.68 -30.55 70.11 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.218 0.917 . . . . 0.0 112.948 170.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 mt -75.89 -31.08 59.04 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.27 1.028 . . . . 0.0 111.09 169.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.99 13.1 7.97 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 127.157 2.313 . . . . 0.0 114.926 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.56 176.21 8.92 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -167.774 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 pp -85.18 167.18 15.94 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.461 1.504 . . . . 0.0 113.198 178.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -125.76 152.07 17.9 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.09 1.328 . . . . 0.0 114.241 176.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -138.18 132.23 31.56 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.454 1.902 . . . . 0.0 111.207 -173.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.5 t -79.7 133.21 36.35 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.236 1.014 . . . . 0.0 111.836 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.2 mm -96.54 -15.48 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 126.769 2.028 . . . . 0.0 112.251 -178.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.5 -77.89 0.21 Allowed Glycine 0 CA--C 1.526 0.774 0 C-N-CA 126.751 2.12 . . . . 0.0 110.185 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -104.97 -30.11 10.02 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.485 1.514 . . . . 0.0 112.126 169.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -92.63 171.18 9.17 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.601 1.161 . . . . 0.0 112.1 173.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 40.1 t -144.08 139.94 29.2 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.114 1.366 . . . . 0.0 110.902 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -121.21 152.53 38.71 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.426 1.491 . . . . 0.0 111.522 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 m -93.57 144.02 25.76 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.655 0.782 . . . . 0.0 111.715 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.1 m -139.03 136.62 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 . . . . . 0 C--O 1.254 1.327 0 C-N-CA 126.744 2.018 . . . . 0.0 115.305 -179.806 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.769 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -88.11 155.53 19.74 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.523 1.129 . . . . 0.0 113.038 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p -77.62 132.94 38.5 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.641 0.777 . . . . 0.0 111.351 169.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -71.49 52.42 0.2 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 127.792 2.437 . . . . 0.0 112.993 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.2 tp -58.37 -36.9 74.19 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.532 -1.355 . . . . 0.0 113.58 -169.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -64.86 -49.24 71.3 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.468 1.031 . . . . 0.0 111.533 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -71.93 -30.38 65.28 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.201 1.001 . . . . 0.0 112.402 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.5 t -65.02 -53.59 43.67 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.68 1.192 . . . . 0.0 111.062 171.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -55.53 -42.05 74.01 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 120.823 -1.173 . . . . 0.0 112.982 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 pp -72.9 -32.12 65.14 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 118.899 0.772 . . . . 0.0 112.3 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 64.6 m -66.02 -40.12 90.8 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.117 0.967 . . . . 0.0 112.19 172.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.8 m -73.02 -35.12 66.73 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.53 1.132 . . . . 0.0 112.124 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.7 ttm-85 -55.99 -31.33 62.94 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.304 1.041 . . . . 0.0 112.918 174.384 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.0 t -56.59 -40.99 76.22 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 172.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -79.54 -14.96 58.5 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.714 1.206 . . . . 0.0 113.264 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.8 18.65 50.66 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.628 1.108 . . . . 0.0 114.985 -173.137 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.8 165.91 17.16 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.817 1.309 . . . . 0.0 112.433 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 pp -83.67 153.81 24.02 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.268 1.027 . . . . 0.0 111.329 175.694 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.22 141.64 15.41 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 124.902 1.239 . . . . 0.0 111.808 169.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -137.32 131.84 32.78 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.575 1.15 . . . . 0.0 111.397 -174.636 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.3 t -82.23 130.72 35.16 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.364 1.065 . . . . 0.0 112.492 -176.328 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.4 mt -123.77 91.45 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 127.05 2.14 . . . . 0.0 108.07 176.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.18 -118.45 11.15 Favored Glycine 0 CA--C 1.532 1.136 0 O-C-N 121.382 -0.824 . . . . 0.0 112.65 -175.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.16 4.35 48.86 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.127 1.371 . . . . 0.0 113.649 171.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -111.02 161.67 15.64 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.84 1.656 . . . . 0.0 112.25 -178.076 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.5 t -138.41 139.93 39.13 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.356 -0.84 . . . . 0.0 111.727 169.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -129.34 144.27 51.17 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.563 1.945 . . . . 0.0 110.249 -174.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.1 m -86.56 142.78 28.05 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.92 0.782 . . . . 0.0 111.058 172.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.01 126.37 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 . . . . . 0 C--O 1.246 0.884 0 C-N-CA 127.328 2.251 . . . . 0.0 113.692 -176.479 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.3 p . . . . . 0 N--CA 1.474 0.738 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 41.0 64.23 1.03 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.431 2.692 . . . . 0.0 114.034 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 66.5 tp -59.17 -37.64 77.86 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.02 0.928 . . . . 0.0 113.202 -174.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -71.6 -21.27 61.87 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.999 -1.063 . . . . 0.0 113.172 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -83.28 -28.81 28.87 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.016 1.326 . . . . 0.0 111.92 169.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.9 t -67.31 -45.5 76.3 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.029 1.331 . . . . 0.0 111.687 176.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -53.07 -37.49 61.69 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.884 0.873 . . . . 0.0 113.182 177.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.22 -48.12 79.64 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.375 1.47 . . . . 0.0 111.322 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.1 t -67.69 -35.26 78.48 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 126.385 1.874 . . . . 0.0 111.473 -173.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.3 m -75.86 -32.63 59.82 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.962 0.905 . . . . 0.0 112.529 171.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -63.79 -23.96 67.57 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 120.992 -1.068 . . . . 0.0 113.362 174.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.0 m -64.65 -33.27 75.54 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.921 0.888 . . . . 0.0 113.35 169.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.6 mt -75.19 -40.09 59.62 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.508 0.723 . . . . 0.0 110.766 169.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.83 20.05 4.67 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 126.147 1.832 . . . . 0.0 114.869 -176.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.76 168.93 18.69 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.93 1.292 . . . . 0.0 112.1 -173.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 pp -75.66 154.22 36.7 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.237 0.615 . . . . 0.0 112.608 -176.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.29 136.03 12.47 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.249 0.928 . . . . 0.0 112.782 170.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -122.74 131.3 53.72 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.685 1.994 . . . . 0.0 109.284 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.0 t -91.65 120.66 32.61 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 168.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.1 tt -148.43 134.2 11.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 125.665 1.586 . . . . 0.0 109.591 -177.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.66 40.9 89.15 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 123.905 0.764 . . . . 0.0 113.976 -176.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 61.67 21.74 12.4 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.627 1.571 . . . . 0.0 115.014 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -142.23 139.22 31.91 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 120.762 -1.212 . . . . 0.0 113.126 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.2 t -63.68 129.15 38.97 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.256 1.423 . . . . 0.0 112.563 169.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -141.93 143.07 33.08 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.558 1.543 . . . . 0.0 111.325 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 m -93.11 144.53 25.18 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.771 0.828 . . . . 0.0 112.25 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.5 m -136.36 126.2 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 . . . . . 0 C--O 1.253 1.24 0 C-N-CA 126.722 2.009 . . . . 0.0 113.443 178.29 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.7 p . . . . . 0 CA--C 1.544 0.738 0 CA-C-O 121.398 0.618 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -78.75 59.77 2.62 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.576 1.95 . . . . 0.0 111.394 -175.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.3 tp -58.29 -39.56 79.65 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.074 1.35 . . . . 0.0 112.969 -174.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -64.41 -48.0 77.05 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.215 1.37 . . . . 0.0 112.863 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -65.06 -34.42 78.38 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 118.758 0.708 . . . . 0.0 112.415 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.5 t -63.38 -51.66 64.94 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.042 0.537 . . . . 0.0 111.272 172.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -62.88 -39.86 95.75 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 125.901 1.68 . . . . 0.0 112.196 -176.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.89 -36.51 80.37 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.876 0.762 . . . . 0.0 111.67 174.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.7 t -65.09 -33.43 76.0 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.486 -0.759 . . . . 0.0 112.493 172.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 m -75.5 -32.59 60.59 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.088 -1.008 . . . . 0.0 112.203 173.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.9 tpp85 -57.45 -39.16 75.72 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.241 1.416 . . . . 0.0 111.105 172.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.9 m -60.91 -25.12 66.51 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 171.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mt -87.81 -14.26 40.04 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.511 1.124 . . . . 0.0 113.443 171.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.54 31.14 22.51 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.773 1.178 . . . . 0.0 114.648 -171.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.3 168.47 23.96 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.435 1.617 . . . . 0.0 114.294 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.8 mt -74.62 149.34 40.07 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.045 1.338 . . . . 0.0 112.542 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.63 140.45 15.02 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.365 0.983 . . . . 0.0 111.01 167.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -137.89 123.27 19.49 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.077 1.351 . . . . 0.0 111.65 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.5 t -86.52 120.3 27.69 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.524 1.13 . . . . 0.0 110.762 174.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.8 mt -140.13 132.48 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.577 1.551 . . . . 0.0 108.217 172.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.89 42.39 78.67 Favored Glycine 0 CA--C 1.529 0.939 0 CA-C-N 118.198 0.454 . . . . 0.0 113.225 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 62.33 10.77 4.09 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -144.7 151.98 39.73 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 120.598 -1.314 . . . . 0.0 112.083 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.0 t -109.98 141.24 43.04 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -169.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -138.59 148.12 43.77 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.698 1.999 . . . . 0.0 110.139 -173.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.0 m -89.03 136.93 32.75 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.538 0.608 . . . . 0.0 112.212 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -144.23 125.7 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.814 1.245 . . . . 0.0 112.643 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 . . . . . 0 C--O 1.255 1.345 0 C-N-CA 126.648 1.979 . . . . 0.0 112.731 177.233 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.3 t . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -122.65 107.73 12.29 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.579 1.152 . . . . 0.0 109.863 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.21 -51.27 11.23 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.593 1.557 . . . . 0.0 113.521 -168.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.4 mmm-85 -58.74 -39.94 82.37 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 119.519 1.054 . . . . 0.0 112.558 -172.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 35.1 mmm-85 -70.28 -31.6 69.03 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 126.547 1.939 . . . . 0.0 113.932 173.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.6 t -78.09 -42.71 31.22 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.023 1.329 . . . . 0.0 112.58 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -56.76 -33.92 67.06 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.587 1.155 . . . . 0.0 112.273 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 mt -55.56 -39.28 70.44 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 122.574 1.178 . . . . 0.0 112.641 174.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.9 t -80.62 -37.68 30.65 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 126.032 1.733 . . . . 0.0 110.203 -174.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.1 m -72.46 -32.18 66.05 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.398 -0.814 . . . . 0.0 112.536 173.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -55.81 -35.87 66.81 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.578 1.551 . . . . 0.0 111.827 170.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.9 p -66.46 -17.08 64.59 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 174.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.1 mt -94.53 -23.1 17.82 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.492 1.517 . . . . 0.0 112.654 172.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.92 40.83 8.48 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.564 1.078 . . . . 0.0 113.39 -170.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.69 170.8 19.36 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.081 1.352 . . . . 0.0 112.951 175.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.7 mt -76.08 157.69 32.63 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.362 1.065 . . . . 0.0 113.561 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.0 129.24 8.81 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 126.027 1.775 . . . . 0.0 111.26 168.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -149.3 164.65 34.25 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.735 1.214 . . . . 0.0 112.3 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.6 m -74.1 136.74 42.99 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -173.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.3 mt -142.44 103.9 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.795 1.238 . . . . 0.0 108.678 169.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.7 49.78 22.45 Favored Glycine 0 CA--C 1.538 1.486 0 O-C-N 121.453 -0.78 . . . . 0.0 114.655 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 61.39 15.04 6.23 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 126.455 1.902 . . . . 0.0 116.038 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -141.14 149.47 41.57 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.51 1.524 . . . . 0.0 109.347 170.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.8 t -74.36 148.12 41.55 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.18 -0.95 . . . . 0.0 113.413 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -143.75 148.18 35.27 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.21 2.204 . . . . 0.0 109.473 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.1 m -86.62 138.67 31.49 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.909 -0.495 . . . . 0.0 112.312 176.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.7 m -146.51 136.72 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.357 1.463 . . . . 0.0 113.324 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 . . . . . 0 C--O 1.255 1.377 0 C-N-CA 126.554 1.942 . . . . 0.0 113.679 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.8 t . . . . . 0 CA--C 1.545 0.756 0 CA-C-O 121.668 0.746 . . . . 0.0 112.701 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -84.86 59.35 5.52 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.863 1.665 . . . . 0.0 112.881 -173.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.8 tp -64.12 -46.19 85.28 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -168.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -60.27 -43.93 95.76 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 120.191 1.36 . . . . 0.0 112.798 -175.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -66.31 -31.5 72.33 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.889 1.275 . . . . 0.0 113.156 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.5 t -68.37 -58.67 4.01 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.453 0.701 . . . . 0.0 110.253 169.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -51.42 -43.34 61.97 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.112 1.765 . . . . 0.0 114.366 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -69.33 -33.94 73.89 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.647 0.658 . . . . 0.0 112.449 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 t -73.5 -36.25 65.73 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.146 0.978 . . . . 0.0 111.864 176.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.7 m -64.78 -37.18 86.74 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.195 0.998 . . . . 0.0 111.07 171.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -63.09 -28.38 70.03 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.227 1.011 . . . . 0.0 113.45 174.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.0 m -64.13 -33.25 75.35 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.122 0.874 . . . . 0.0 112.559 170.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.6 mt -76.42 -40.79 49.73 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.552 -0.718 . . . . 0.0 111.198 170.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.36 14.5 8.22 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 126.252 1.882 . . . . 0.0 114.55 -172.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.27 168.85 9.48 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.177 1.391 . . . . 0.0 111.051 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 mt -83.45 159.39 21.77 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.329 1.052 . . . . 0.0 110.245 171.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.2 146.97 17.8 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 123.762 0.696 . . . . 0.0 111.828 169.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -144.99 135.31 24.13 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 118.31 1.055 . . . . 0.0 112.331 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.4 m -70.95 131.04 43.12 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.158 0.983 . . . . 0.0 112.128 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.4 tt -148.31 117.31 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 126.114 1.766 . . . . 0.0 109.684 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.23 35.72 91.95 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.272 0.939 . . . . 0.0 114.378 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 63.2 2.0 1.02 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 127.038 2.135 . . . . 0.0 115.434 -170.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -106.75 -170.89 1.79 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.589 1.956 . . . . 0.0 108.958 168.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.6 t -144.54 151.94 39.83 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 120.435 -1.416 . . . . 0.0 111.888 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -138.0 161.35 36.95 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.439 1.096 . . . . 0.0 111.163 169.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.1 m -92.33 140.76 29.27 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.889 0.875 . . . . 0.0 112.418 173.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.4 m -144.29 136.54 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 126.176 1.79 . . . . 0.0 111.449 -175.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . 0.252 0.0 OUTLIER . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.257 1.823 . . . . 0.0 111.925 -176.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.4 t . . . . . 0 CA--C 1.543 0.691 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -96.72 90.74 5.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.94 1.296 . . . . 0.0 110.045 175.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.87 -45.21 86.97 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.986 0.914 . . . . 0.0 112.779 -175.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.5 mmm-85 -59.64 -45.13 92.92 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.542 1.065 . . . . 0.0 110.98 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -58.92 -32.27 69.41 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.901 0.88 . . . . 0.0 112.919 172.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.3 t -75.41 -39.91 58.43 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.467 -0.77 . . . . 0.0 111.955 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -55.36 -40.15 70.94 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.681 -0.676 . . . . 0.0 111.761 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.64 -43.56 93.27 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.232 1.413 . . . . 0.0 112.293 175.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 t -65.55 -43.63 89.3 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.623 1.169 . . . . 0.0 110.818 -176.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.1 m -72.85 -37.75 67.29 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.701 -0.625 . . . . 0.0 111.753 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -57.2 -34.15 68.23 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.127 0.971 . . . . 0.0 111.431 169.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.2 m -73.97 -4.32 34.49 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.432 1.493 . . . . 0.0 114.427 173.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 mt -102.52 -25.74 13.49 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.153 1.381 . . . . 0.0 112.167 167.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.73 22.59 6.59 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 126.326 1.917 . . . . 0.0 115.055 -172.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.04 174.89 11.82 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.172 1.486 . . . . 0.0 114.775 -173.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.3 mt -83.69 171.26 13.41 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.267 1.427 . . . . 0.0 112.167 176.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.65 159.97 23.36 Favored Glycine 0 N--CA 1.472 1.079 0 C-N-CA 124.837 1.208 . . . . 0.0 114.264 175.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -151.68 138.89 19.27 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.604 1.562 . . . . 0.0 112.234 173.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.6 m -72.89 134.31 44.76 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.764 -0.585 . . . . 0.0 110.604 172.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.3 mt -131.95 83.62 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 177.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.09 -138.06 20.11 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.516 1.055 . . . . 0.0 111.359 -167.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -83.28 9.81 9.94 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -142.83 154.1 43.85 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 120.609 -1.307 . . . . 0.0 110.129 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.8 t -102.48 144.84 30.41 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 124.141 0.976 . . . . 0.0 111.899 -176.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -117.99 130.84 56.43 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.813 1.245 . . . . 0.0 109.821 171.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.0 m -77.35 136.7 38.47 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.074 0.55 . . . . 0.0 110.293 171.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.1 m -131.61 123.21 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.57 1.548 . . . . 0.0 111.044 -176.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 . . . . . 0 C--O 1.252 1.226 0 C-N-CA 128.392 2.677 . . . . 0.0 115.86 -169.286 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.9 p . . . . . 0 CA--C 1.544 0.747 0 CA-C-O 121.171 0.51 . . . . 0.0 111.552 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -85.61 61.04 6.61 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.793 1.637 . . . . 0.0 110.75 -176.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.66 -46.13 91.5 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.885 1.674 . . . . 0.0 114.047 -169.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -66.79 -41.35 87.75 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 121.07 -1.019 . . . . 0.0 112.687 -173.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -66.69 -31.97 72.97 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.48 1.112 . . . . 0.0 112.783 170.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.0 t -69.15 -45.47 70.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.828 1.251 . . . . 0.0 112.284 175.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -54.83 -41.76 71.08 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.761 -1.212 . . . . 0.0 111.908 173.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.2 tp -67.88 -30.91 70.39 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.675 1.99 . . . . 0.0 112.644 176.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.4 t -70.19 -48.29 57.8 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.396 -0.815 . . . . 0.0 111.567 170.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.9 m -65.33 -30.57 71.42 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.207 -0.933 . . . . 0.0 112.326 -177.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -51.52 -32.81 29.24 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.614 1.566 . . . . 0.0 112.817 169.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.2 t -63.69 -34.06 77.02 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.017 0.927 . . . . 0.0 112.982 176.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -78.93 -21.6 47.03 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.502 1.121 . . . . 0.0 112.42 173.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.17 31.06 15.1 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.366 1.46 . . . . 0.0 114.343 -170.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.56 168.37 19.93 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.369 1.068 . . . . 0.0 112.805 177.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -83.3 157.16 22.72 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.117 0.967 . . . . 0.0 112.825 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -109.21 145.09 16.6 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.904 1.24 . . . . 0.0 112.616 172.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -135.6 138.25 42.74 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.981 1.313 . . . . 0.0 112.775 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.2 t -72.27 135.05 45.9 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.392 1.077 . . . . 0.0 111.872 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.7 mt -124.54 78.78 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 125.709 1.604 . . . . 0.0 108.916 172.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.82 -89.59 0.24 Allowed Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.698 1.142 . . . . 0.0 112.357 -173.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -119.4 -8.03 10.11 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.872 1.669 . . . . 0.0 113.607 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -86.88 164.29 16.68 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.78 1.632 . . . . 0.0 110.055 168.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.6 t -143.37 129.66 19.88 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 120.995 -1.066 . . . . 0.0 111.477 168.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -123.02 141.88 51.47 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.45 1.5 . . . . 0.0 111.104 -170.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.4 m -84.66 139.74 31.82 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.032 0.533 . . . . 0.0 111.114 172.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.8 m -135.36 124.08 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 CA-C-O 121.774 0.797 . . . . 0.0 112.163 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.527 0 C-N-CA 126.885 2.074 . . . . 0.0 111.098 175.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.6 p . . . . . 0 CA--C 1.545 0.785 0 CA-C-O 121.235 0.54 . . . . 0.0 111.204 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -83.15 53.01 2.33 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.564 1.145 . . . . 0.0 112.388 -173.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -51.33 -50.02 60.25 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.145 1.378 . . . . 0.0 114.497 -168.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -71.71 -38.91 70.47 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 121.225 -0.922 . . . . 0.0 111.914 -173.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -73.75 -28.93 61.94 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.829 1.251 . . . . 0.0 113.032 174.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.8 t -66.81 -54.66 20.25 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 126.058 1.743 . . . . 0.0 110.322 171.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -50.25 -52.59 34.9 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.32 1.048 . . . . 0.0 112.581 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 pp -64.55 -30.72 71.75 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.728 0.695 . . . . 0.0 112.442 -177.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.2 m -75.41 -40.96 57.13 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.339 1.056 . . . . 0.0 112.702 175.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.1 m -67.02 -38.09 85.31 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.393 1.077 . . . . 0.0 111.557 176.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -65.23 -30.19 71.05 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.212 1.405 . . . . 0.0 112.84 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -64.65 -37.87 89.05 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 169.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.1 mt -71.92 -13.9 61.78 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 120.904 -1.122 . . . . 0.0 113.05 171.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.06 22.54 48.47 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.836 1.207 . . . . 0.0 114.758 -174.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.497 HD12 ' CB ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -109.75 -168.82 1.37 Allowed 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.821 1.311 . . . . 0.0 109.88 170.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.3 mt -115.39 169.86 8.83 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.977 1.711 . . . . 0.0 108.8 166.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.94 148.46 18.9 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 124.121 0.867 . . . . 0.0 114.275 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -140.63 130.64 24.69 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 127.033 2.133 . . . . 0.0 111.66 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.6 t -82.21 133.03 35.24 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.051 0.94 . . . . 0.0 111.974 171.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.3 pt -116.96 -161.31 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 C-N-CA 128.176 2.59 . . . . 0.0 109.938 175.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.18 94.4 0.06 OUTLIER Glycine 0 CA--C 1.539 1.593 0 O-C-N 120.796 -1.19 . . . . 0.0 114.221 176.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 57.56 20.99 6.66 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 128.774 2.83 . . . . 0.0 116.793 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -149.53 168.26 24.0 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.585 -1.322 . . . . 0.0 111.032 167.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.0 t -122.4 138.24 54.6 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.142 -0.974 . . . . 0.0 111.801 174.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -126.53 161.68 27.42 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.006 1.323 . . . . 0.0 111.071 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.497 ' CB ' HD12 ' A' ' 17' ' ' LEU . 13.3 m -86.53 156.58 20.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.035 0.445 . . . . 0.0 112.197 174.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -154.12 130.09 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 126.38 1.872 . . . . 0.0 109.606 -176.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--O 1.252 1.199 0 C-N-CA 124.874 1.269 . . . . 0.0 112.339 177.934 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.9 p . . . . . 0 CA--C 1.546 0.805 0 CA-C-O 121.115 0.483 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -91.06 78.24 5.95 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.491 1.516 . . . . 0.0 111.706 -174.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.2 tp -67.72 -40.38 84.26 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 -169.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -64.38 -44.6 90.84 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.355 0.98 . . . . 0.0 112.274 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -69.77 -33.09 71.93 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.415 1.086 . . . . 0.0 112.418 175.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.4 t -65.23 -51.2 62.43 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.786 0.834 . . . . 0.0 111.755 173.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.36 -46.45 69.57 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.115 0.966 . . . . 0.0 112.09 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.0 tp -67.07 -27.91 67.76 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.451 1.9 . . . . 0.0 112.631 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.8 t -80.47 -36.91 32.81 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.4 1.48 . . . . 0.0 113.075 172.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.2 m -69.81 -30.22 67.7 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.061 -1.024 . . . . 0.0 111.922 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -59.93 -24.96 64.77 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.001 0.92 . . . . 0.0 112.561 174.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.6 m -66.06 -27.1 67.83 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.692 1.197 . . . . 0.0 113.37 172.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -85.69 -18.22 33.77 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.522 1.129 . . . . 0.0 112.205 169.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.56 31.11 19.73 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.433 1.492 . . . . 0.0 113.988 -172.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.425 HD12 ' HB3' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -143.54 167.74 21.5 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.579 1.19 . . . . 0.0 114.156 177.607 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.9 mt -72.72 160.34 32.36 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.546 1.538 . . . . 0.0 113.189 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.36 142.91 15.19 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.86 1.695 . . . . 0.0 113.769 170.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -140.18 142.58 35.91 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.413 1.485 . . . . 0.0 113.567 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.1 t -73.68 140.05 45.8 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.433 1.093 . . . . 0.0 112.665 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.9 pt -118.61 7.6 6.82 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 C-N-CA 126.809 2.044 . . . . 0.0 114.424 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.95 -99.65 0.26 Allowed Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.922 1.725 . . . . 0.0 111.417 -175.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -101.11 4.02 41.78 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.481 1.512 . . . . 0.0 112.887 171.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -129.81 172.5 11.6 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 126.714 2.005 . . . . 0.0 111.782 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 46.1 t -142.44 135.89 28.92 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.881 0.872 . . . . 0.0 111.751 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -119.65 143.16 47.86 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 127.519 2.327 . . . . 0.0 109.873 -169.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.425 ' HB3' HD12 ' A' ' 17' ' ' LEU . 11.0 m -88.96 144.73 25.97 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.131 0.423 . . . . 0.0 111.936 174.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.54 128.5 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.893 1.277 . . . . 0.0 112.624 -178.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.186 1.794 . . . . 0.0 112.456 -179.545 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.2 p . . . . . 0 CA--C 1.543 0.675 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -75.15 150.1 38.83 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.655 1.982 . . . . 0.0 113.715 -175.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 tt -128.51 -67.26 0.8 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.364 1.066 . . . . 0.0 111.869 -173.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -59.04 -43.73 91.69 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 119.979 1.263 . . . . 0.0 112.109 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -69.66 -25.31 63.84 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 175.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.5 t -70.99 -52.27 20.66 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.438 0.695 . . . . 0.0 110.541 170.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -53.54 -50.81 64.69 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.187 0.995 . . . . 0.0 112.54 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -29.95 70.74 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.546 -0.721 . . . . 0.0 112.906 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.9 t -67.38 -32.81 73.97 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.306 1.043 . . . . 0.0 112.729 171.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.3 m -78.35 -27.01 46.94 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 118.744 -0.646 . . . . 0.0 112.503 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.5 mmt-85 -57.84 -31.86 67.07 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.805 1.184 . . . . 0.0 112.541 168.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.6 m -65.39 -18.93 65.7 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 173.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.8 mt -95.83 -26.55 15.59 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.66 1.184 . . . . 0.0 111.961 168.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.45 26.59 8.59 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 127.253 2.359 . . . . 0.0 115.111 -175.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.53 177.72 7.39 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.665 1.586 . . . . 0.0 113.355 -176.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.5 mt -75.69 164.03 26.69 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.211 1.804 . . . . 0.0 111.831 168.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.32 142.79 13.85 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.277 0.941 . . . . 0.0 114.281 174.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -141.3 150.92 43.16 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.496 1.918 . . . . 0.0 111.129 174.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.8 t -78.91 127.47 32.05 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.565 -0.709 . . . . 0.0 110.724 168.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.8 mm -133.73 122.91 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 126.742 2.017 . . . . 0.0 108.035 177.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.3 44.26 96.66 Favored Glycine 0 CA--C 1.536 1.372 0 O-C-N 121.425 -0.797 . . . . 0.0 114.052 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 67.79 13.91 9.32 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 125.957 1.703 . . . . 0.0 115.564 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -139.4 156.52 46.93 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 127.183 2.193 . . . . 0.0 111.776 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.6 t -64.85 138.26 58.27 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.02 -1.05 . . . . 0.0 112.887 171.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -136.74 129.54 30.66 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 128.181 2.592 . . . . 0.0 108.634 169.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 55.7 m -86.68 146.59 26.24 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.562 -0.711 . . . . 0.0 111.68 174.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.7 m -141.26 132.11 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 124.202 1.001 . . . . 0.0 113.375 -169.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 C--O 1.251 1.164 0 C-N-CA 123.973 0.909 . . . . 0.0 110.7 167.347 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 t . . . . . 0 CA--C 1.544 0.716 0 N-CA-C 111.679 0.252 . . . . 0.0 111.679 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -76.49 58.85 1.39 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.356 1.863 . . . . 0.0 111.496 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.12 -49.36 76.19 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.243 1.817 . . . . 0.0 113.88 -168.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -63.51 -43.11 98.16 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.745 1.157 . . . . 0.0 113.68 -172.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -71.93 -29.14 63.98 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.075 0.95 . . . . 0.0 112.886 174.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.6 t -66.51 -58.01 6.11 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.6 0.76 . . . . 0.0 110.206 172.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.59 -47.44 73.33 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.155 1.382 . . . . 0.0 113.203 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 pp -63.11 -33.95 76.56 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.227 0.921 . . . . 0.0 111.662 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.3 m -68.19 -45.91 72.1 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.38 0.672 . . . . 0.0 111.702 172.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.9 m -61.0 -42.79 99.13 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.287 1.035 . . . . 0.0 112.212 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -67.05 -25.47 66.27 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 125.152 1.381 . . . . 0.0 112.167 -177.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.4 p -65.43 -27.75 68.75 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 170.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt -87.38 -14.04 41.75 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.929 1.292 . . . . 0.0 113.118 174.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.92 15.67 55.87 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.837 1.208 . . . . 0.0 114.904 -174.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.19 174.14 6.39 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.156 1.383 . . . . 0.0 111.117 176.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.5 mt -107.3 148.32 29.14 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.462 1.105 . . . . 0.0 111.645 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.77 144.33 17.11 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.121 0.867 . . . . 0.0 113.01 175.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -144.23 145.17 31.89 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.205 1.002 . . . . 0.0 112.73 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.3 m -81.78 104.31 12.07 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.524 1.13 . . . . 0.0 111.198 176.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.5 mt -89.1 58.87 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.368 1.467 . . . . 0.0 108.235 175.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.5 -135.01 12.25 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 125.322 1.439 . . . . 0.0 111.274 -167.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.539 ' H ' ' CD ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -78.82 -4.62 50.43 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.522 1.529 . . . . 0.0 113.801 177.407 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -118.56 142.11 47.93 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.208 2.203 . . . . 0.0 110.942 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.5 t -111.02 145.19 38.9 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.212 1.005 . . . . 0.0 112.788 -175.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -139.05 143.52 38.42 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.445 1.098 . . . . 0.0 112.009 176.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.9 m -85.81 133.85 33.96 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.134 0.973 . . . . 0.0 111.989 171.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.22 134.15 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 N-CA-C 115.243 1.571 . . . . 0.0 115.243 -173.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 127.032 2.133 . . . . 0.0 111.619 168.332 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.9 p . . . . . 0 CA--C 1.543 0.685 0 CA-C-O 120.91 0.386 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -85.14 69.23 10.75 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.547 1.539 . . . . 0.0 110.584 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.98 -45.08 95.21 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.933 1.293 . . . . 0.0 113.319 -170.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.39 -49.47 73.71 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.341 0.973 . . . . 0.0 113.014 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -56.03 -35.43 66.87 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.851 0.86 . . . . 0.0 112.06 172.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.1 t -71.43 -53.09 15.18 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.731 1.212 . . . . 0.0 111.892 177.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -54.18 -44.99 72.0 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.701 1.591 . . . . 0.0 112.579 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.34 -25.6 62.46 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 122.707 0.403 . . . . 0.0 111.844 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.6 t -71.38 -45.31 63.16 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.773 0.829 . . . . 0.0 111.664 168.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.7 m -65.26 -23.45 67.05 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.729 1.612 . . . . 0.0 112.302 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -56.31 -33.44 65.57 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.747 1.219 . . . . 0.0 112.616 170.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.6 p -71.4 -5.58 33.81 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 175.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.6 mt -105.05 -16.7 14.73 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.376 1.47 . . . . 0.0 111.875 168.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.78 21.89 27.39 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.117 1.341 . . . . 0.0 115.236 -175.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.08 171.69 14.51 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.392 1.077 . . . . 0.0 113.66 -173.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.6 mt -81.55 170.37 15.96 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.602 1.161 . . . . 0.0 112.58 176.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.3 141.68 15.95 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.285 1.422 . . . . 0.0 111.879 173.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -120.79 129.96 53.8 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.114 2.166 . . . . 0.0 110.908 -174.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.2 t -73.98 131.2 41.17 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.751 0.82 . . . . 0.0 112.43 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.7 mt -123.92 75.59 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 127.166 2.186 . . . . 0.0 108.703 176.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.38 -98.4 0.66 Allowed Glycine 0 CA--C 1.531 1.059 0 C-N-CA 124.475 1.036 . . . . 0.0 113.613 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 pm0 -99.51 -1.84 37.38 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.26 1.424 . . . . 0.0 113.944 174.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -123.75 173.81 7.9 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.055 1.342 . . . . 0.0 111.321 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.7 t -143.24 148.29 36.19 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 121.161 -0.962 . . . . 0.0 111.522 173.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -137.37 137.43 38.86 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.156 1.382 . . . . 0.0 110.946 -172.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.8 m -78.96 135.47 36.95 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.905 -0.497 . . . . 0.0 112.129 -177.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.5 m -131.95 125.29 54.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.53 1.132 . . . . 0.0 112.807 -173.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 128.532 2.733 . . . . 0.0 114.474 178.614 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.6 p . . . . . 0 CA--C 1.542 0.655 0 CA-C-O 122.164 0.983 . . . . 0.0 113.297 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -75.69 67.64 2.17 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.782 2.033 . . . . 0.0 111.122 -176.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.9 tp -58.04 -37.98 75.41 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.335 -1.478 . . . . 0.0 113.274 -173.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -64.89 -22.39 66.99 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.248 1.019 . . . . 0.0 113.176 177.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -93.82 -21.87 19.01 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.616 1.566 . . . . 0.0 113.081 173.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 51.8 t -71.73 -44.95 63.22 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.371 1.069 . . . . 0.0 111.532 169.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.12 -49.47 73.8 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.912 0.885 . . . . 0.0 112.252 174.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.66 -25.44 64.82 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.343 -0.848 . . . . 0.0 113.173 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.7 t -69.91 -51.21 34.93 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.877 1.271 . . . . 0.0 111.337 172.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.2 m -68.14 -25.48 65.3 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.132 -0.98 . . . . 0.0 113.038 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -59.67 -18.23 40.42 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 168.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.6 t -61.36 -34.22 74.95 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.284 0.947 . . . . 0.0 112.711 169.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.0 mt -83.95 -34.57 24.41 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.34 1.056 . . . . 0.0 111.142 168.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.23 3.94 31.08 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 126.328 1.918 . . . . 0.0 114.484 -176.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.06 173.38 7.07 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.187 1.395 . . . . 0.0 111.333 176.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 pp -75.59 154.16 36.9 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.13 0.972 . . . . 0.0 112.12 170.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.93 140.72 15.04 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 124.875 1.226 . . . . 0.0 111.307 169.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -135.58 137.71 42.25 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.174 1.389 . . . . 0.0 109.601 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.3 t -88.19 122.32 31.61 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.5 0.667 . . . . 0.0 110.58 173.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.8 mm -89.85 65.63 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 124.66 1.184 . . . . 0.0 108.904 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.83 -46.19 1.41 Allowed Glycine 0 CA--C 1.536 1.353 0 C-N-CA 126.625 2.06 . . . . 0.0 115.06 -175.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -140.65 -13.79 0.97 Allowed 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 -175.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -137.78 145.32 42.24 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 120.992 -1.067 . . . . 0.0 111.926 -170.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 29.0 t -80.72 136.41 36.16 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.575 1.15 . . . . 0.0 113.204 -175.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -138.99 143.53 38.54 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.406 1.483 . . . . 0.0 110.307 169.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.8 m -97.12 141.46 30.22 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.794 0.838 . . . . 0.0 111.158 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.0 m -141.36 141.35 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 . . . . . 0 C--O 1.252 1.23 0 C-N-CA 127.287 2.235 . . . . 0.0 115.227 -173.284 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 48.9 t . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -84.09 68.55 10.12 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.093 1.757 . . . . 0.0 112.244 173.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.48 -42.59 96.59 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 120.995 -1.066 . . . . 0.0 112.157 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -66.48 -50.52 63.02 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 -65.67 -18.74 65.54 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 175.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.4 t -81.44 -55.76 4.48 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.482 1.113 . . . . 0.0 112.794 170.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -52.96 -41.39 64.49 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.558 1.543 . . . . 0.0 113.017 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 pp -61.49 -32.88 72.92 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.396 0.544 . . . . 0.0 112.394 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.6 p -71.74 -43.83 65.15 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.433 -0.792 . . . . 0.0 112.076 174.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.1 m -60.92 -29.71 69.76 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.75 0.82 . . . . 0.0 110.811 175.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -34.72 76.88 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.612 1.165 . . . . 0.0 112.628 173.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.9 t -64.24 -36.38 83.9 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.849 0.86 . . . . 0.0 111.814 173.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -77.64 -19.51 55.34 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.137 0.975 . . . . 0.0 112.547 174.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.13 27.32 40.94 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 125.445 1.498 . . . . 0.0 114.685 -176.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.62 170.91 15.29 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.128 1.771 . . . . 0.0 112.715 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.4 mt -79.4 152.19 30.5 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.959 1.304 . . . . 0.0 113.875 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.74 147.23 17.42 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 125.762 1.649 . . . . 0.0 112.472 168.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -141.74 132.0 24.98 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.5 1.52 . . . . 0.0 111.375 -175.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.5 m -75.17 130.5 39.29 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.484 -0.76 . . . . 0.0 111.668 172.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.9 mt -126.08 72.72 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.647 1.579 . . . . 0.0 107.239 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.93 -147.56 30.75 Favored Glycine 0 CA--C 1.537 1.432 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 -165.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.0 pm0 -69.74 3.78 2.33 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 -173.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -141.32 152.32 44.34 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.802 1.641 . . . . 0.0 111.647 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.8 t -105.63 155.78 18.89 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.04 1.336 . . . . 0.0 113.268 -177.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -143.88 146.1 32.77 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.276 2.231 . . . . 0.0 109.96 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 m -83.54 150.87 25.69 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.526 0.731 . . . . 0.0 112.517 178.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 m -144.39 130.56 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.923 1.689 . . . . 0.0 111.665 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 . . . . . 0 C--O 1.255 1.355 0 C-N-CA 125.165 1.386 . . . . 0.0 112.433 175.582 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.8 p . . . . . 0 CA--C 1.547 0.858 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -72.06 50.68 0.21 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 128.474 2.709 . . . . 0.0 114.169 174.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.76 -50.85 71.88 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.758 1.223 . . . . 0.0 114.193 -169.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -57.79 -43.08 85.38 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.995 1.271 . . . . 0.0 112.598 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 50.8 mmm-85 -71.17 -25.3 62.48 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.595 1.158 . . . . 0.0 113.417 176.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 t -76.95 -49.32 15.79 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.982 0.913 . . . . 0.0 112.769 173.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -53.99 -40.39 66.88 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 118.788 0.722 . . . . 0.0 112.161 -178.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -70.92 -24.26 62.42 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.3 t -70.6 -48.94 52.62 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.222 -0.924 . . . . 0.0 111.476 171.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.7 m -64.15 -31.1 72.18 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.271 1.028 . . . . 0.0 112.521 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -53.56 -32.03 49.08 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.072 1.749 . . . . 0.0 112.601 173.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.2 p -71.19 -32.42 68.85 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.5 mt -76.67 -26.66 55.04 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.124 0.97 . . . . 0.0 111.502 177.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.55 24.3 11.22 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 125.792 1.663 . . . . 0.0 114.579 -174.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.11 167.13 22.93 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.08 1.352 . . . . 0.0 112.697 -178.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 38.3 mt -82.68 151.0 26.45 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.642 0.777 . . . . 0.0 112.612 -177.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.49 127.85 9.3 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 168.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -124.45 122.85 38.78 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 118.121 0.961 . . . . 0.0 110.793 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.2 t -85.15 109.39 18.25 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.335 1.054 . . . . 0.0 111.378 176.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.2 mt -140.37 121.37 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 124.889 1.276 . . . . 0.0 108.833 -177.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.23 31.14 35.26 Favored Glycine 0 CA--C 1.536 1.354 0 O-C-N 121.721 -0.612 . . . . 0.0 113.508 -171.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 58.91 34.21 23.5 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.211 1.804 . . . . 0.0 112.294 -176.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -156.5 138.49 14.45 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.586 1.554 . . . . 0.0 110.336 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.4 t -98.26 137.27 37.25 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -137.23 139.12 40.82 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 127.222 2.209 . . . . 0.0 109.276 -175.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.2 m -81.83 128.34 33.92 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.178 0.591 . . . . 0.0 111.245 178.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.6 m -144.8 143.35 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.886 1.674 . . . . 0.0 113.086 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 127.949 2.499 . . . . 0.0 115.465 179.905 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.5 p . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 112.923 0.712 . . . . 0.0 112.923 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -75.23 58.5 0.94 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.933 2.093 . . . . 0.0 112.859 -170.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.2 tp -59.16 -33.66 71.18 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.837 1.655 . . . . 0.0 113.686 -171.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -42.01 76.2 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 120.292 1.405 . . . . 0.0 112.563 176.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -67.99 -30.33 69.56 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.988 1.315 . . . . 0.0 112.019 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.0 t -71.64 -52.27 18.86 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.339 1.056 . . . . 0.0 111.969 169.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -53.61 -39.11 64.66 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.602 1.161 . . . . 0.0 112.416 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -69.97 -34.6 73.59 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.32 0.964 . . . . 0.0 113.035 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.4 m -68.75 -34.73 76.08 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.797 0.726 . . . . 0.0 112.897 173.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.9 m -77.06 -30.42 55.57 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.603 -0.685 . . . . 0.0 111.721 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.6 ttp85 -57.43 -36.03 70.84 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.8 1.24 . . . . 0.0 112.879 173.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.2 m -63.49 -35.85 81.81 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.05 0.54 . . . . 0.0 112.327 173.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt -72.87 -28.3 62.43 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.125 0.875 . . . . 0.0 112.852 173.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.22 34.99 7.75 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.831 1.205 . . . . 0.0 113.447 -171.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.68 166.99 23.62 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.505 1.122 . . . . 0.0 111.917 175.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.1 mt -74.66 160.33 30.95 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.961 0.904 . . . . 0.0 112.46 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.89 135.18 12.31 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.903 1.239 . . . . 0.0 110.782 169.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -137.96 142.37 40.51 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.416 1.487 . . . . 0.0 111.442 -177.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.0 t -91.1 134.22 34.7 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.833 1.253 . . . . 0.0 111.988 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.8 tt -150.4 103.57 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 125.154 1.382 . . . . 0.0 111.264 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.22 51.78 5.98 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.007 1.289 . . . . 0.0 114.397 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 64.6 14.48 9.02 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.899 1.68 . . . . 0.0 115.424 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -148.17 154.41 40.1 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.155 1.382 . . . . 0.0 110.648 171.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.6 t -115.38 139.32 50.11 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 124.779 1.231 . . . . 0.0 113.733 -173.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -127.6 168.26 15.24 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 127.565 2.346 . . . . 0.0 111.08 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.4 m -93.45 143.53 26.2 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.4 m -141.38 127.55 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.357 1.063 . . . . 0.0 112.556 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 . . . . . 0 C--O 1.252 1.237 0 C-N-CA 126.272 1.829 . . . . 0.0 112.352 170.073 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.6 t . . . . . 0 CA--C 1.543 0.69 0 CA-C-O 120.817 0.341 . . . . 0.0 111.055 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -118.61 103.95 10.18 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.0 1.32 . . . . 0.0 109.803 177.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.0 tp -56.2 -39.57 72.64 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.468 1.107 . . . . 0.0 113.729 -168.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -66.8 -35.53 80.27 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.41 -33.28 60.94 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.933 1.693 . . . . 0.0 112.365 176.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.6 t -64.9 -53.06 52.54 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.87 0.868 . . . . 0.0 110.824 170.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.61 -48.94 74.06 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.007 1.323 . . . . 0.0 113.417 177.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.14 -26.68 67.55 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.677 0.671 . . . . 0.0 112.528 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.0 m -74.81 -43.18 56.04 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.968 0.907 . . . . 0.0 112.032 173.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 57.6 m -67.49 -25.47 65.88 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.098 0.959 . . . . 0.0 112.411 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -33.41 23.3 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.994 1.718 . . . . 0.0 113.842 170.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.6 t -70.56 -33.4 71.06 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.849 0.86 . . . . 0.0 112.511 177.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.1 mt -74.83 -29.79 61.17 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.355 -0.841 . . . . 0.0 112.331 175.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.15 31.14 5.43 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 125.848 1.689 . . . . 0.0 114.411 -173.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.8 173.9 14.19 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -175.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.41 152.33 30.4 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.0 1.32 . . . . 0.0 113.322 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.55 149.36 18.38 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 125.121 1.343 . . . . 0.0 113.592 174.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -145.67 144.2 30.27 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.424 1.489 . . . . 0.0 112.385 178.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 92.9 m -89.82 133.66 34.61 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.376 1.07 . . . . 0.0 111.285 173.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.7 tt -154.85 132.09 2.27 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 126.199 1.799 . . . . 0.0 110.749 177.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.45 37.18 93.69 Favored Glycine 0 CA--C 1.542 1.739 0 O-C-N 120.529 -1.357 . . . . 0.0 114.609 176.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 59.19 29.33 18.87 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.558 1.543 . . . . 0.0 114.208 -172.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -147.76 149.96 33.36 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.24 -0.912 . . . . 0.0 113.317 177.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.1 t -77.35 141.6 39.77 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.088 1.355 . . . . 0.0 112.701 175.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -134.41 136.47 43.32 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.323 1.849 . . . . 0.0 109.913 169.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.8 m -97.84 139.86 33.07 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.115 0.566 . . . . 0.0 111.601 170.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.6 m -137.64 135.27 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 123.844 0.858 . . . . 0.0 113.107 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 . . . . . 0 C--O 1.254 1.315 0 C-N-CA 125.219 1.407 . . . . 0.0 112.9 176.414 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.1 t . . . . . 0 CA--C 1.546 0.794 0 N-CA-C 113.373 0.879 . . . . 0.0 113.373 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -64.72 100.09 0.37 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.907 0.883 . . . . 0.0 110.647 168.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 61.7 tp -66.8 -44.99 79.79 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.07 1.348 . . . . 0.0 112.518 176.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -66.48 -40.91 89.59 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.33 -0.856 . . . . 0.0 112.57 -172.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -61.9 -25.83 67.8 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.678 1.191 . . . . 0.0 112.787 175.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.4 t -79.91 -51.8 8.66 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.881 1.272 . . . . 0.0 111.617 169.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -52.22 -43.29 64.19 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.59 -35.11 78.37 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.157 0.583 . . . . 0.0 112.495 179.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 t -70.65 -36.06 73.21 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.815 -0.553 . . . . 0.0 112.121 174.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.5 m -67.16 -30.96 71.07 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.322 -0.861 . . . . 0.0 112.314 172.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -59.94 -28.89 68.01 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.13 0.972 . . . . 0.0 112.316 174.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.3 m -64.42 -16.6 62.67 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.449 1.278 . . . . 0.0 114.449 173.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 mt -100.88 -14.76 17.81 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.712 1.205 . . . . 0.0 112.24 170.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.8 26.07 30.49 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.546 1.545 . . . . 0.0 114.813 -171.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.31 169.57 13.41 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.991 1.396 . . . . 0.0 113.307 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pp -88.0 158.99 18.48 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.238 1.015 . . . . 0.0 111.168 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -114.53 150.47 18.66 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.011 0.815 . . . . 0.0 114.255 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -141.26 150.35 42.49 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 128.16 2.584 . . . . 0.0 108.446 174.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.2 t -129.68 121.18 26.45 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.426 -0.796 . . . . 0.0 112.716 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.9 mt -135.03 133.91 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.35 1.06 . . . . 0.0 109.671 -175.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.78 44.36 96.36 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-O 119.257 -0.746 . . . . 0.0 112.812 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 63.39 3.23 1.35 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.31 2.244 . . . . 0.0 115.389 -172.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -123.31 133.29 54.16 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 120.865 -1.147 . . . . 0.0 113.799 -169.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.5 t -70.54 145.44 50.82 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.665 1.186 . . . . 0.0 113.463 178.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -140.86 145.05 35.69 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.047 1.739 . . . . 0.0 110.366 167.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.9 m -114.84 140.75 48.69 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.646 1.578 . . . . 0.0 111.743 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.7 m -139.13 137.77 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.983 0.913 . . . . 0.0 113.229 -178.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 . . . . . 0 C--O 1.262 1.747 0 C-N-CA 125.045 1.338 . . . . 0.0 110.469 169.423 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.2 p . . . . . 0 CA--C 1.546 0.798 0 N-CA-C 114.147 1.165 . . . . 0.0 114.147 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -112.45 93.02 4.23 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.639 1.976 . . . . 0.0 111.64 -169.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.9 tp -68.08 -50.54 54.37 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -169.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.3 ttp85 -69.08 -28.66 66.71 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.84 -1.162 . . . . 0.0 112.924 -176.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -72.5 -30.56 64.61 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.291 1.037 . . . . 0.0 112.957 168.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.72 -47.76 71.3 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.461 0.573 . . . . 0.0 110.043 170.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -53.35 -50.39 65.13 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.204 1.001 . . . . 0.0 113.576 175.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.11 -29.79 67.94 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.584 0.629 . . . . 0.0 112.45 -178.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -72.17 -44.75 62.56 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.666 0.786 . . . . 0.0 111.853 174.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.1 m -65.15 -30.76 71.71 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.082 -1.012 . . . . 0.0 112.083 176.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -61.48 -23.57 65.98 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 118.093 -0.956 . . . . 0.0 112.83 176.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.5 p -61.42 -28.01 68.95 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.299 0.954 . . . . 0.0 113.232 170.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -84.32 -19.05 34.36 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.379 1.472 . . . . 0.0 112.927 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.11 22.1 18.46 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 125.716 1.626 . . . . 0.0 115.47 -172.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.79 169.03 21.38 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.151 1.38 . . . . 0.0 113.898 -174.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 pp -81.72 162.53 22.94 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.464 1.506 . . . . 0.0 113.499 -177.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -124.07 149.14 16.88 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.477 1.037 . . . . 0.0 115.431 176.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -139.11 159.97 40.89 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 127.343 2.257 . . . . 0.0 112.69 169.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.5 t -86.97 121.18 29.08 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.188 0.995 . . . . 0.0 111.357 170.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.2 mt -138.92 122.0 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 126.346 1.859 . . . . 0.0 108.48 -173.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.16 34.14 86.9 Favored Glycine 0 CA--C 1.537 1.458 0 O-C-N 121.228 -0.92 . . . . 0.0 114.035 -170.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 57.58 28.93 16.37 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 126.114 1.766 . . . . 0.0 115.244 -172.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -145.32 154.82 42.74 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.831 1.652 . . . . 0.0 110.855 172.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.8 t -62.19 142.13 57.82 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.732 -1.23 . . . . 0.0 113.4 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.1 tttt -141.06 141.05 34.32 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 126.749 2.02 . . . . 0.0 109.615 169.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.0 m -109.73 134.23 52.23 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.594 1.157 . . . . 0.0 111.685 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.8 m -133.33 135.37 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.332 1.053 . . . . 0.0 112.733 -177.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.537 1.535 . . . . 0.0 112.335 174.81 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.6 p . . . . . 0 CA--C 1.543 0.705 0 CA-C-O 121.716 0.77 . . . . 0.0 113.057 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -91.21 71.91 6.23 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.393 1.477 . . . . 0.0 108.868 174.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.6 tp -68.61 -42.45 78.13 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.069 0.947 . . . . 0.0 112.812 -169.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -44.01 89.64 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.256 0.935 . . . . 0.0 111.831 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -72.29 -27.08 62.23 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 173.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.2 -50.88 62.34 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.011 0.823 . . . . 0.0 110.824 171.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -56.7 -42.24 78.77 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.791 1.236 . . . . 0.0 113.833 -178.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -72.71 -28.63 62.78 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.044 0.386 . . . . 0.0 112.044 176.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.3 m -71.79 -39.79 69.66 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.383 0.673 . . . . 0.0 111.722 173.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.2 m -61.31 -28.9 69.54 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.804 1.241 . . . . 0.0 111.956 172.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -62.53 -22.25 66.16 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.873 0.869 . . . . 0.0 113.143 174.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.7 p -67.68 -30.55 70.11 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.218 0.917 . . . . 0.0 112.948 170.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 mt -75.89 -31.08 59.04 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.27 1.028 . . . . 0.0 111.09 169.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.99 13.1 7.97 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 127.157 2.313 . . . . 0.0 114.926 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.56 176.21 8.92 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -167.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 pp -85.18 167.18 15.94 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.461 1.504 . . . . 0.0 113.198 178.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -125.76 152.07 17.9 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.09 1.328 . . . . 0.0 114.241 176.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -138.18 132.23 31.56 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.454 1.902 . . . . 0.0 111.207 -173.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.5 t -79.7 133.21 36.35 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.236 1.014 . . . . 0.0 111.836 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.2 mm -96.54 -15.48 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 126.769 2.028 . . . . 0.0 112.251 -178.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.5 -77.89 0.21 Allowed Glycine 0 CA--C 1.526 0.774 0 C-N-CA 126.751 2.12 . . . . 0.0 110.185 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -104.97 -30.11 10.02 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.485 1.514 . . . . 0.0 112.126 169.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -92.63 171.18 9.17 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.601 1.161 . . . . 0.0 112.1 173.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 40.1 t -144.08 139.94 29.2 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.114 1.366 . . . . 0.0 110.902 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -121.21 152.53 38.71 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.426 1.491 . . . . 0.0 111.522 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 m -93.57 144.02 25.76 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.655 0.782 . . . . 0.0 111.715 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.1 m -139.03 136.62 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 . . . . . 0 C--O 1.254 1.327 0 C-N-CA 126.744 2.018 . . . . 0.0 115.305 -179.806 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p . . . . . 0 CA--C 1.546 0.795 0 CA-C-O 121.464 0.65 . . . . 0.0 111.351 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -71.49 52.42 0.2 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 127.792 2.437 . . . . 0.0 112.993 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.2 tp -58.37 -36.9 74.19 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.532 -1.355 . . . . 0.0 113.58 -169.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -64.86 -49.24 71.3 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.468 1.031 . . . . 0.0 111.533 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -71.93 -30.38 65.28 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.201 1.001 . . . . 0.0 112.402 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.5 t -65.02 -53.59 43.67 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.68 1.192 . . . . 0.0 111.062 171.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -55.53 -42.05 74.01 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 120.823 -1.173 . . . . 0.0 112.982 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 pp -72.9 -32.12 65.14 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 118.899 0.772 . . . . 0.0 112.3 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 64.6 m -66.02 -40.12 90.8 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.117 0.967 . . . . 0.0 112.19 172.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.8 m -73.02 -35.12 66.73 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.53 1.132 . . . . 0.0 112.124 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.7 ttm-85 -55.99 -31.33 62.94 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.304 1.041 . . . . 0.0 112.918 174.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.0 t -56.59 -40.99 76.22 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 172.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -79.54 -14.96 58.5 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.714 1.206 . . . . 0.0 113.264 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.8 18.65 50.66 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.628 1.108 . . . . 0.0 114.985 -173.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.8 165.91 17.16 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.817 1.309 . . . . 0.0 112.433 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 pp -83.67 153.81 24.02 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.268 1.027 . . . . 0.0 111.329 175.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.22 141.64 15.41 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 124.902 1.239 . . . . 0.0 111.808 169.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -137.32 131.84 32.78 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.575 1.15 . . . . 0.0 111.397 -174.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.3 t -82.23 130.72 35.16 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.364 1.065 . . . . 0.0 112.492 -176.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.4 mt -123.77 91.45 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 127.05 2.14 . . . . 0.0 108.07 176.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.18 -118.45 11.15 Favored Glycine 0 CA--C 1.532 1.136 0 O-C-N 121.382 -0.824 . . . . 0.0 112.65 -175.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.16 4.35 48.86 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.127 1.371 . . . . 0.0 113.649 171.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -111.02 161.67 15.64 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.84 1.656 . . . . 0.0 112.25 -178.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.5 t -138.41 139.93 39.13 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.356 -0.84 . . . . 0.0 111.727 169.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -129.34 144.27 51.17 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.563 1.945 . . . . 0.0 110.249 -174.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.1 m -86.56 142.78 28.05 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.92 0.782 . . . . 0.0 111.058 172.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.01 126.37 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 . . . . . 0 C--O 1.246 0.884 0 C-N-CA 127.328 2.251 . . . . 0.0 113.692 -176.479 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.874 0 N-CA-C 110.402 -0.221 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -73.32 139.5 46.1 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.453 -0.78 . . . . 0.0 112.307 -179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.3 p -73.13 4.3 4.57 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 115.532 1.679 . . . . 0.0 115.532 173.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 41.0 64.23 1.03 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 128.431 2.692 . . . . 0.0 114.034 179.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 66.5 tp -59.17 -37.64 77.86 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.02 0.928 . . . . 0.0 113.202 -174.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 66.0 mtt180 -71.6 -21.27 61.87 Favored 'General case' 0 N--CA 1.479 0.979 0 O-C-N 120.999 -1.063 . . . . 0.0 113.172 179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 78.0 mtt180 -83.28 -28.81 28.87 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.016 1.326 . . . . 0.0 111.92 169.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.9 t -67.31 -45.5 76.3 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 125.029 1.331 . . . . 0.0 111.687 176.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -53.07 -37.49 61.69 Favored 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 123.884 0.873 . . . . 0.0 113.182 177.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.9 mt -63.22 -48.12 79.64 Favored 'General case' 0 CA--C 1.531 0.213 0 C-N-CA 125.375 1.47 . . . . 0.0 111.322 177.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.1 t -67.69 -35.26 78.48 Favored 'General case' 0 C--N 1.326 -0.414 0 C-N-CA 126.385 1.874 . . . . 0.0 111.473 -173.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.3 m -75.86 -32.63 59.82 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 123.962 0.905 . . . . 0.0 112.529 171.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -63.79 -23.96 67.57 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 120.992 -1.068 . . . . 0.0 113.362 174.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 68.0 m -64.65 -33.27 75.54 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.921 0.888 . . . . 0.0 113.35 169.442 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.6 mt -75.19 -40.09 59.62 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.508 0.723 . . . . 0.0 110.766 169.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 117.83 20.05 4.67 Favored Glycine 0 CA--C 1.534 1.253 0 C-N-CA 126.147 1.832 . . . . 0.0 114.869 -176.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.76 168.93 18.69 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.93 1.292 . . . . 0.0 112.1 -173.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 pp -75.66 154.22 36.7 Favored 'General case' 0 N--CA 1.467 0.397 0 C-N-CA 123.237 0.615 . . . . 0.0 112.608 -176.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -100.29 136.03 12.47 Favored Glycine 0 CA--C 1.533 1.183 0 C-N-CA 124.249 0.928 . . . . 0.0 112.782 170.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.5 ttmm -122.74 131.3 53.72 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 126.685 1.994 . . . . 0.0 109.284 177.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 12.0 t -91.65 120.66 32.61 Favored 'General case' 0 C--O 1.239 0.531 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 168.204 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 20.1 tt -148.43 134.2 11.62 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.432 0 C-N-CA 125.665 1.586 . . . . 0.0 109.591 -177.515 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.66 40.9 89.15 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 123.905 0.764 . . . . 0.0 113.976 -176.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 61.67 21.74 12.4 Favored 'General case' 0 CA--C 1.553 1.076 0 C-N-CA 125.627 1.571 . . . . 0.0 115.014 -178.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -142.23 139.22 31.91 Favored 'General case' 0 N--CA 1.473 0.725 0 O-C-N 120.762 -1.212 . . . . 0.0 113.126 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 13.2 t -63.68 129.15 38.97 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.256 1.423 . . . . 0.0 112.563 169.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 36.9 ttpt -141.93 143.07 33.08 Favored 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 125.558 1.543 . . . . 0.0 111.325 169.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 14.3 m -93.11 144.53 25.18 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 123.771 0.828 . . . . 0.0 112.25 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.5 m -136.36 126.2 39.74 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 . . . . . 0 C--O 1.253 1.24 0 C-N-CA 126.722 2.009 . . . . 0.0 113.443 178.29 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.799 0 CA-C-O 120.482 0.182 . . . . 0.0 110.832 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -72.2 161.2 31.2 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.462 0.705 . . . . 0.0 111.486 170.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 27.7 p -68.61 137.87 54.59 Favored 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 121.398 0.618 . . . . 0.0 111.149 175.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.3 m-80 -78.75 59.77 2.62 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.576 1.95 . . . . 0.0 111.394 -175.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 62.3 tp -58.29 -39.56 79.65 Favored 'General case' 0 CA--C 1.537 0.47 0 C-N-CA 125.074 1.35 . . . . 0.0 112.969 -174.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.8 ttm180 -64.41 -48.0 77.05 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.215 1.37 . . . . 0.0 112.863 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.0 mtt180 -65.06 -34.42 78.38 Favored 'General case' 0 N--CA 1.481 1.101 0 CA-C-N 118.758 0.708 . . . . 0.0 112.415 174.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 28.5 t -63.38 -51.66 64.94 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 123.042 0.537 . . . . 0.0 111.272 172.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -62.88 -39.86 95.75 Favored 'General case' 0 N--CA 1.443 -0.78 0 C-N-CA 125.901 1.68 . . . . 0.0 112.196 -176.397 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 pp -67.89 -36.51 80.37 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 118.876 0.762 . . . . 0.0 111.67 174.168 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 7.7 t -65.09 -33.43 76.0 Favored 'General case' 0 N--CA 1.471 0.576 0 O-C-N 121.486 -0.759 . . . . 0.0 112.493 172.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.7 m -75.5 -32.59 60.59 Favored 'General case' 0 CA--C 1.544 0.748 0 O-C-N 121.088 -1.008 . . . . 0.0 112.203 173.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 14.9 tpp85 -57.45 -39.16 75.72 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.241 1.416 . . . . 0.0 111.105 172.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 39.9 m -60.91 -25.12 66.51 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 113.847 1.055 . . . . 0.0 113.847 171.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.5 mt -87.81 -14.26 40.04 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.511 1.124 . . . . 0.0 113.443 171.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.54 31.14 22.51 Favored Glycine 0 CA--C 1.537 1.421 0 C-N-CA 124.773 1.178 . . . . 0.0 114.648 -171.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -150.3 168.47 23.96 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 119.435 1.617 . . . . 0.0 114.294 179.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.8 mt -74.62 149.34 40.07 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 125.045 1.338 . . . . 0.0 112.542 179.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -98.63 140.45 15.02 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.365 0.983 . . . . 0.0 111.01 167.162 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -137.89 123.27 19.49 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 125.077 1.351 . . . . 0.0 111.65 -178.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.5 t -86.52 120.3 27.69 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.524 1.13 . . . . 0.0 110.762 174.564 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 74.8 mt -140.13 132.48 33.34 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.577 1.551 . . . . 0.0 108.217 172.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.89 42.39 78.67 Favored Glycine 0 CA--C 1.529 0.939 0 CA-C-N 118.198 0.454 . . . . 0.0 113.225 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 mm-40 62.33 10.77 4.09 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 116.154 1.909 . . . . 0.0 116.154 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -144.7 151.98 39.73 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 120.598 -1.314 . . . . 0.0 112.083 177.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.0 t -109.98 141.24 43.04 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 114.634 1.346 . . . . 0.0 114.634 -169.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -138.59 148.12 43.77 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 126.698 1.999 . . . . 0.0 110.139 -173.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.0 m -89.03 136.93 32.75 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-N 118.538 0.608 . . . . 0.0 112.212 179.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.0 m -144.23 125.7 9.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.681 0 C-N-CA 124.814 1.245 . . . . 0.0 112.643 -176.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 . . . . . 0 C--O 1.255 1.345 0 C-N-CA 126.648 1.979 . . . . 0.0 112.731 177.233 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.715 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 50.3 m-85 -68.35 147.76 51.68 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 122.173 0.987 . . . . 0.0 113.397 -170.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 42.3 t -51.31 127.49 19.78 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 126.696 1.998 . . . . 0.0 112.274 -173.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -122.65 107.73 12.29 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 124.579 1.152 . . . . 0.0 109.863 -178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -77.21 -51.27 11.23 Favored 'General case' 0 CA--C 1.533 0.295 0 C-N-CA 125.593 1.557 . . . . 0.0 113.521 -168.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.4 mmm-85 -58.74 -39.94 82.37 Favored 'General case' 0 N--CA 1.484 1.239 0 CA-C-N 119.519 1.054 . . . . 0.0 112.558 -172.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 35.1 mmm-85 -70.28 -31.6 69.03 Favored 'General case' 0 N--CA 1.483 1.176 0 C-N-CA 126.547 1.939 . . . . 0.0 113.932 173.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.6 t -78.09 -42.71 31.22 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 125.023 1.329 . . . . 0.0 112.58 178.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -56.76 -33.92 67.06 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.587 1.155 . . . . 0.0 112.273 -178.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 5.8 mt -55.56 -39.28 70.44 Favored 'General case' 0 N--CA 1.468 0.439 0 CA-C-O 122.574 1.178 . . . . 0.0 112.641 174.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 6.9 t -80.62 -37.68 30.65 Favored 'General case' 0 N--CA 1.446 -0.644 0 C-N-CA 126.032 1.733 . . . . 0.0 110.203 -174.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.1 m -72.46 -32.18 66.05 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.398 -0.814 . . . . 0.0 112.536 173.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 28.9 ttm180 -55.81 -35.87 66.81 Favored 'General case' 0 N--CA 1.471 0.62 0 C-N-CA 125.578 1.551 . . . . 0.0 111.827 170.274 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 8.9 p -66.46 -17.08 64.59 Favored 'General case' 0 N--CA 1.479 0.998 0 N-CA-C 114.24 1.2 . . . . 0.0 114.24 174.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.1 mt -94.53 -23.1 17.82 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 125.492 1.517 . . . . 0.0 112.654 172.643 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.92 40.83 8.48 Favored Glycine 0 CA--C 1.536 1.352 0 C-N-CA 124.564 1.078 . . . . 0.0 113.39 -170.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.69 170.8 19.36 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.081 1.352 . . . . 0.0 112.951 175.146 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.7 mt -76.08 157.69 32.63 Favored 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 124.362 1.065 . . . . 0.0 113.561 178.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.0 129.24 8.81 Favored Glycine 0 CA--C 1.532 1.096 0 C-N-CA 126.027 1.775 . . . . 0.0 111.26 168.138 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -149.3 164.65 34.25 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.735 1.214 . . . . 0.0 112.3 177.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.6 m -74.1 136.74 42.99 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 113.16 0.8 . . . . 0.0 113.16 -173.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 24.3 mt -142.44 103.9 1.08 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 C-N-CA 124.795 1.238 . . . . 0.0 108.678 169.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.7 49.78 22.45 Favored Glycine 0 CA--C 1.538 1.486 0 O-C-N 121.453 -0.78 . . . . 0.0 114.655 -179.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 61.39 15.04 6.23 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 126.455 1.902 . . . . 0.0 116.038 179.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -141.14 149.47 41.57 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.51 1.524 . . . . 0.0 109.347 170.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.8 t -74.36 148.12 41.55 Favored 'General case' 0 CA--C 1.544 0.724 0 O-C-N 121.18 -0.95 . . . . 0.0 113.413 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.7 tppt? -143.75 148.18 35.27 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.21 2.204 . . . . 0.0 109.473 176.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 12.1 m -86.62 138.67 31.49 Favored 'General case' 0 CA--C 1.545 0.751 0 O-C-N 121.909 -0.495 . . . . 0.0 112.312 176.054 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.7 m -146.51 136.72 17.73 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.12 0 C-N-CA 125.357 1.463 . . . . 0.0 113.324 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 82.7 m-85 . . . . . 0 C--O 1.255 1.377 0 C-N-CA 126.554 1.942 . . . . 0.0 113.679 179.971 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.707 0 CA-C-O 120.534 0.207 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -92.34 157.41 16.64 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.544 1.538 . . . . 0.0 112.661 177.869 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.8 t -60.04 134.57 57.17 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 124.176 0.99 . . . . 0.0 112.701 173.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 67.1 m-80 -84.86 59.35 5.52 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.863 1.665 . . . . 0.0 112.881 -173.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 26.8 tp -64.12 -46.19 85.28 Favored 'General case' 0 CA--C 1.539 0.546 0 N-CA-C 115.077 1.51 . . . . 0.0 115.077 -168.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? -60.27 -43.93 95.76 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-N 120.191 1.36 . . . . 0.0 112.798 -175.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 81.2 mtp180 -66.31 -31.5 72.33 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 124.889 1.275 . . . . 0.0 113.156 176.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 48.5 t -68.37 -58.67 4.01 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.453 0.701 . . . . 0.0 110.253 169.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -51.42 -43.34 61.97 Favored 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 126.112 1.765 . . . . 0.0 114.366 -178.564 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.6 pp -69.33 -33.94 73.89 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 118.647 0.658 . . . . 0.0 112.449 177.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.7 t -73.5 -36.25 65.73 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 124.146 0.978 . . . . 0.0 111.864 176.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.7 m -64.78 -37.18 86.74 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 124.195 0.998 . . . . 0.0 111.07 171.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 7.7 tpp180 -63.09 -28.38 70.03 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 124.227 1.011 . . . . 0.0 113.45 174.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.0 m -64.13 -33.25 75.35 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 119.122 0.874 . . . . 0.0 112.559 170.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.6 mt -76.42 -40.79 49.73 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 121.552 -0.718 . . . . 0.0 111.198 170.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.36 14.5 8.22 Favored Glycine 0 CA--C 1.536 1.369 0 C-N-CA 126.252 1.882 . . . . 0.0 114.55 -172.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -114.27 168.85 9.48 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 125.177 1.391 . . . . 0.0 111.051 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.6 mt -83.45 159.39 21.77 Favored 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 124.329 1.052 . . . . 0.0 110.245 171.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -111.2 146.97 17.8 Favored Glycine 0 CA--C 1.534 1.266 0 C-N-CA 123.762 0.696 . . . . 0.0 111.828 169.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 39.7 ttpt -144.99 135.31 24.13 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 118.31 1.055 . . . . 0.0 112.331 -178.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 63.4 m -70.95 131.04 43.12 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 124.158 0.983 . . . . 0.0 112.128 176.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 14.4 tt -148.31 117.31 1.11 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.537 0 C-N-CA 126.114 1.766 . . . . 0.0 109.684 -178.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.23 35.72 91.95 Favored Glycine 0 CA--C 1.532 1.14 0 C-N-CA 124.272 0.939 . . . . 0.0 114.378 179.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 63.2 2.0 1.02 Allowed 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 127.038 2.135 . . . . 0.0 115.434 -170.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -106.75 -170.89 1.79 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 126.589 1.956 . . . . 0.0 108.958 168.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 47.6 t -144.54 151.94 39.83 Favored 'General case' 0 C--O 1.238 0.452 0 O-C-N 120.435 -1.416 . . . . 0.0 111.888 -179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 ptmt -138.0 161.35 36.95 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.439 1.096 . . . . 0.0 111.163 169.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.1 m -92.33 140.76 29.27 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.889 0.875 . . . . 0.0 112.418 173.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.4 m -144.29 136.54 22.48 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.629 0 C-N-CA 126.176 1.79 . . . . 0.0 111.449 -175.516 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . 0.252 0.0 OUTLIER . . . . . 0 C--O 1.253 1.246 0 C-N-CA 126.257 1.823 . . . . 0.0 111.925 -176.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.796 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -65.19 147.23 53.82 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.245 1.018 . . . . 0.0 113.711 -174.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.4 t -62.12 137.41 58.25 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.767 2.027 . . . . 0.0 112.548 179.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 29.3 m-80 -96.72 90.74 5.4 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 124.94 1.296 . . . . 0.0 110.045 175.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.9 tp -64.87 -45.21 86.97 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 123.986 0.914 . . . . 0.0 112.779 -175.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.5 mmm-85 -59.64 -45.13 92.92 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 119.542 1.065 . . . . 0.0 110.98 -179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -58.92 -32.27 69.41 Favored 'General case' 0 N--CA 1.483 1.189 0 C-N-CA 123.901 0.88 . . . . 0.0 112.919 172.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.3 t -75.41 -39.91 58.43 Favored 'General case' 0 CA--C 1.53 0.209 0 O-C-N 121.467 -0.77 . . . . 0.0 111.955 177.413 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -55.36 -40.15 70.94 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-O 118.681 -0.676 . . . . 0.0 111.761 -179.402 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -64.64 -43.56 93.27 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.232 1.413 . . . . 0.0 112.293 175.282 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 14.1 t -65.55 -43.63 89.3 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 124.623 1.169 . . . . 0.0 110.818 -176.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.1 m -72.85 -37.75 67.29 Favored 'General case' 0 CA--C 1.539 0.519 0 O-C-N 121.701 -0.625 . . . . 0.0 111.753 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -57.2 -34.15 68.23 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.127 0.971 . . . . 0.0 111.431 169.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.2 m -73.97 -4.32 34.49 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.432 1.493 . . . . 0.0 114.427 173.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.1 mt -102.52 -25.74 13.49 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 125.153 1.381 . . . . 0.0 112.167 167.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.73 22.59 6.59 Favored Glycine 0 CA--C 1.539 1.538 0 C-N-CA 126.326 1.917 . . . . 0.0 115.055 -172.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -149.04 174.89 11.82 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 119.172 1.486 . . . . 0.0 114.775 -173.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 25.3 mt -83.69 171.26 13.41 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 125.267 1.427 . . . . 0.0 112.167 176.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -131.65 159.97 23.36 Favored Glycine 0 N--CA 1.472 1.079 0 C-N-CA 124.837 1.208 . . . . 0.0 114.264 175.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -151.68 138.89 19.27 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 125.604 1.562 . . . . 0.0 112.234 173.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.6 m -72.89 134.31 44.76 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.764 -0.585 . . . . 0.0 110.604 172.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 47.3 mt -131.95 83.62 0.7 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.597 0 N-CA-C 106.703 -1.592 . . . . 0.0 106.703 177.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 79.09 -138.06 20.11 Favored Glycine 0 CA--C 1.536 1.347 0 C-N-CA 124.516 1.055 . . . . 0.0 111.359 -167.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -83.28 9.81 9.94 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 114.924 1.453 . . . . 0.0 114.924 -179.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -142.83 154.1 43.85 Favored 'General case' 0 CA--C 1.533 0.299 0 O-C-N 120.609 -1.307 . . . . 0.0 110.129 178.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.8 t -102.48 144.84 30.41 Favored 'General case' 0 C--O 1.236 0.389 0 C-N-CA 124.141 0.976 . . . . 0.0 111.899 -176.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.0 tppt? -117.99 130.84 56.43 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 124.813 1.245 . . . . 0.0 109.821 171.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.0 m -77.35 136.7 38.47 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 123.074 0.55 . . . . 0.0 110.293 171.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.1 m -131.61 123.21 51.79 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.509 0 C-N-CA 125.57 1.548 . . . . 0.0 111.044 -176.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 . . . . . 0 C--O 1.252 1.226 0 C-N-CA 128.392 2.677 . . . . 0.0 115.86 -169.286 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.735 0 CA-C-O 119.098 -0.477 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 -71.28 144.29 50.05 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 118.872 0.76 . . . . 0.0 112.922 177.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 18.9 p -69.97 136.12 50.13 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.523 0.729 . . . . 0.0 111.552 169.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 11.7 m-80 -85.61 61.04 6.61 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 125.793 1.637 . . . . 0.0 110.75 -176.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -60.66 -46.13 91.5 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.885 1.674 . . . . 0.0 114.047 -169.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 67.3 mtm180 -66.79 -41.35 87.75 Favored 'General case' 0 N--CA 1.48 1.031 0 O-C-N 121.07 -1.019 . . . . 0.0 112.687 -173.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 96.2 mtt180 -66.69 -31.97 72.97 Favored 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.48 1.112 . . . . 0.0 112.783 170.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.0 t -69.15 -45.47 70.0 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.828 1.251 . . . . 0.0 112.284 175.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -54.83 -41.76 71.08 Favored 'General case' 0 N--CA 1.477 0.89 0 O-C-N 120.761 -1.212 . . . . 0.0 111.908 173.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 15.2 tp -67.88 -30.91 70.39 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 126.675 1.99 . . . . 0.0 112.644 176.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.4 t -70.19 -48.29 57.8 Favored 'General case' 0 N--CA 1.471 0.617 0 O-C-N 121.396 -0.815 . . . . 0.0 111.567 170.105 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.9 m -65.33 -30.57 71.42 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.207 -0.933 . . . . 0.0 112.326 -177.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.5 ttm180 -51.52 -32.81 29.24 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 125.614 1.566 . . . . 0.0 112.817 169.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.2 t -63.69 -34.06 77.02 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 124.017 0.927 . . . . 0.0 112.982 176.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -78.93 -21.6 47.03 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.502 1.121 . . . . 0.0 112.42 173.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.17 31.06 15.1 Favored Glycine 0 CA--C 1.536 1.372 0 C-N-CA 125.366 1.46 . . . . 0.0 114.343 -170.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.56 168.37 19.93 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 124.369 1.068 . . . . 0.0 112.805 177.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.0 pp -83.3 157.16 22.72 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.117 0.967 . . . . 0.0 112.825 -179.526 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -109.21 145.09 16.6 Favored Glycine 0 CA--C 1.532 1.119 0 C-N-CA 124.904 1.24 . . . . 0.0 112.616 172.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 14.9 ptmt -135.6 138.25 42.74 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.981 1.313 . . . . 0.0 112.775 179.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 28.2 t -72.27 135.05 45.9 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.392 1.077 . . . . 0.0 111.872 177.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 44.7 mt -124.54 78.78 0.62 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.7 0 C-N-CA 125.709 1.604 . . . . 0.0 108.916 172.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.82 -89.59 0.24 Allowed Glycine 0 CA--C 1.533 1.192 0 C-N-CA 124.698 1.142 . . . . 0.0 112.357 -173.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -119.4 -8.03 10.11 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 125.872 1.669 . . . . 0.0 113.607 176.361 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -86.88 164.29 16.68 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 125.78 1.632 . . . . 0.0 110.055 168.262 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.6 t -143.37 129.66 19.88 Favored 'General case' 0 C--O 1.236 0.384 0 O-C-N 120.995 -1.066 . . . . 0.0 111.477 168.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -123.02 141.88 51.47 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 125.45 1.5 . . . . 0.0 111.104 -170.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 15.4 m -84.66 139.74 31.82 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 123.032 0.533 . . . . 0.0 111.114 172.099 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 7.8 m -135.36 124.08 40.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 CA-C-O 121.774 0.797 . . . . 0.0 112.163 178.477 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.527 0 C-N-CA 126.885 2.074 . . . . 0.0 111.098 175.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.801 0 N-CA-C 108.99 -0.744 . . . . 0.0 108.99 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.7 m-85 -60.08 158.18 11.62 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 114.539 1.311 . . . . 0.0 114.539 -168.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.6 p -59.86 134.44 57.03 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.735 0.814 . . . . 0.0 111.204 174.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -83.15 53.01 2.33 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.564 1.145 . . . . 0.0 112.388 -173.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -51.33 -50.02 60.25 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.145 1.378 . . . . 0.0 114.497 -168.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 7.0 mpt_? -71.71 -38.91 70.47 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 121.225 -0.922 . . . . 0.0 111.914 -173.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.4 mtm180 -73.75 -28.93 61.94 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 124.829 1.251 . . . . 0.0 113.032 174.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.8 t -66.81 -54.66 20.25 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 126.058 1.743 . . . . 0.0 110.322 171.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -50.25 -52.59 34.9 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 124.32 1.048 . . . . 0.0 112.581 175.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.5 pp -64.55 -30.72 71.75 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 118.728 0.695 . . . . 0.0 112.442 -177.402 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.2 m -75.41 -40.96 57.13 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.339 1.056 . . . . 0.0 112.702 175.585 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.1 m -67.02 -38.09 85.31 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.393 1.077 . . . . 0.0 111.557 176.519 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.9 mtt-85 -65.23 -30.19 71.05 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 125.212 1.405 . . . . 0.0 112.84 176.03 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 22.9 t -64.65 -37.87 89.05 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 112.699 0.629 . . . . 0.0 112.699 169.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 19.1 mt -71.92 -13.9 61.78 Favored 'General case' 0 N--CA 1.481 1.105 0 O-C-N 120.904 -1.122 . . . . 0.0 113.05 171.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.06 22.54 48.47 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 124.836 1.207 . . . . 0.0 114.758 -174.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.497 HD12 ' CB ' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -109.75 -168.82 1.37 Allowed 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 118.821 1.311 . . . . 0.0 109.88 170.838 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.3 mt -115.39 169.86 8.83 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 125.977 1.711 . . . . 0.0 108.8 166.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.94 148.46 18.9 Favored Glycine 0 CA--C 1.54 1.623 0 C-N-CA 124.121 0.867 . . . . 0.0 114.275 177.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 33.7 ttmt -140.63 130.64 24.69 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 127.033 2.133 . . . . 0.0 111.66 179.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 18.6 t -82.21 133.03 35.24 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 124.051 0.94 . . . . 0.0 111.974 171.356 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 6.3 pt -116.96 -161.31 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.792 0 C-N-CA 128.176 2.59 . . . . 0.0 109.938 175.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -59.18 94.4 0.06 OUTLIER Glycine 0 CA--C 1.539 1.593 0 O-C-N 120.796 -1.19 . . . . 0.0 114.221 176.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 57.56 20.99 6.66 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 128.774 2.83 . . . . 0.0 116.793 179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -149.53 168.26 24.0 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 120.585 -1.322 . . . . 0.0 111.032 167.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 54.0 t -122.4 138.24 54.6 Favored 'General case' 0 C--O 1.237 0.438 0 O-C-N 121.142 -0.974 . . . . 0.0 111.801 174.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -126.53 161.68 27.42 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 125.006 1.323 . . . . 0.0 111.071 177.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.497 ' CB ' HD12 ' A' ' 17' ' ' LEU . 13.3 m -86.53 156.58 20.03 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.035 0.445 . . . . 0.0 112.197 174.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -154.12 130.09 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.393 0 C-N-CA 126.38 1.872 . . . . 0.0 109.606 -176.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 . . . . . 0 C--O 1.252 1.199 0 C-N-CA 124.874 1.269 . . . . 0.0 112.339 177.934 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.867 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -73.83 156.01 38.2 Favored 'General case' 0 CA--C 1.542 0.643 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 -170.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.9 p -80.64 132.39 35.59 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.468 1.107 . . . . 0.0 111.137 169.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 52.7 m-80 -91.06 78.24 5.95 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 125.491 1.516 . . . . 0.0 111.706 -174.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 40.2 tp -67.72 -40.38 84.26 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 -169.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 40.1 mtm180 -64.38 -44.6 90.84 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 119.355 0.98 . . . . 0.0 112.274 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.9 mtp85 -69.77 -33.09 71.93 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.415 1.086 . . . . 0.0 112.418 175.41 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.4 t -65.23 -51.2 62.43 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.786 0.834 . . . . 0.0 111.755 173.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -53.36 -46.45 69.57 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 124.115 0.966 . . . . 0.0 112.09 175.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.0 tp -67.07 -27.91 67.76 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.451 1.9 . . . . 0.0 112.631 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.8 t -80.47 -36.91 32.81 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 125.4 1.48 . . . . 0.0 113.075 172.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.2 m -69.81 -30.22 67.7 Favored 'General case' 0 CA--C 1.546 0.799 0 O-C-N 121.061 -1.024 . . . . 0.0 111.922 174.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.9 ttp180 -59.93 -24.96 64.77 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.001 0.92 . . . . 0.0 112.561 174.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 15.6 m -66.06 -27.1 67.83 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.692 1.197 . . . . 0.0 113.37 172.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.2 mt -85.69 -18.22 33.77 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 124.522 1.129 . . . . 0.0 112.205 169.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 86.56 31.11 19.73 Favored Glycine 0 CA--C 1.535 1.317 0 C-N-CA 125.433 1.492 . . . . 0.0 113.988 -172.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.425 HD12 ' HB3' ' A' ' 28' ' ' CYS . 0.3 OUTLIER -143.54 167.74 21.5 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 118.579 1.19 . . . . 0.0 114.156 177.607 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 37.9 mt -72.72 160.34 32.36 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.546 1.538 . . . . 0.0 113.189 179.535 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -122.36 142.91 15.19 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.86 1.695 . . . . 0.0 113.769 170.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -140.18 142.58 35.91 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.413 1.485 . . . . 0.0 113.567 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 44.1 t -73.68 140.05 45.8 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.433 1.093 . . . . 0.0 112.665 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 5.9 pt -118.61 7.6 6.82 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.864 0 C-N-CA 126.809 2.044 . . . . 0.0 114.424 -178.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.95 -99.65 0.26 Allowed Glycine 0 CA--C 1.532 1.146 0 C-N-CA 125.922 1.725 . . . . 0.0 111.417 -175.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -101.11 4.02 41.78 Favored 'General case' 0 CA--C 1.546 0.822 0 C-N-CA 125.481 1.512 . . . . 0.0 112.887 171.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -129.81 172.5 11.6 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 126.714 2.005 . . . . 0.0 111.782 179.244 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 46.1 t -142.44 135.89 28.92 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 123.881 0.872 . . . . 0.0 111.751 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.0 tttt -119.65 143.16 47.86 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 127.519 2.327 . . . . 0.0 109.873 -169.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.425 ' HB3' HD12 ' A' ' 17' ' ' LEU . 11.0 m -88.96 144.73 25.97 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 118.131 0.423 . . . . 0.0 111.936 174.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 5.2 m -142.54 128.5 17.68 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.893 1.277 . . . . 0.0 112.624 -178.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 10.1 m-85 . . . . . 0 C--O 1.253 1.27 0 C-N-CA 126.186 1.794 . . . . 0.0 112.456 -179.545 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.733 0 CA-C-O 120.657 0.265 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -89.64 172.7 8.76 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 125.148 1.379 . . . . 0.0 112.879 177.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.2 p -66.78 154.67 40.22 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 116.58 2.067 . . . . 0.0 116.58 -169.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 53.1 m-80 -75.15 150.1 38.83 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 126.655 1.982 . . . . 0.0 113.715 -175.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.7 tt -128.51 -67.26 0.8 Allowed 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 124.364 1.066 . . . . 0.0 111.869 -173.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -59.04 -43.73 91.69 Favored 'General case' 0 N--CA 1.482 1.155 0 CA-C-N 119.979 1.263 . . . . 0.0 112.109 178.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 69.9 mtm180 -69.66 -25.31 63.84 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 175.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.5 t -70.99 -52.27 20.66 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.438 0.695 . . . . 0.0 110.541 170.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -53.54 -50.81 64.69 Favored 'General case' 0 N--CA 1.47 0.525 0 C-N-CA 124.187 0.995 . . . . 0.0 112.54 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -65.33 -29.95 70.74 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 121.546 -0.721 . . . . 0.0 112.906 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 30.9 t -67.38 -32.81 73.97 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.306 1.043 . . . . 0.0 112.729 171.335 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.3 m -78.35 -27.01 46.94 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-O 118.744 -0.646 . . . . 0.0 112.503 178.585 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 49.5 mmt-85 -57.84 -31.86 67.07 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 119.805 1.184 . . . . 0.0 112.541 168.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.6 m -65.39 -18.93 65.7 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 114.122 1.156 . . . . 0.0 114.122 173.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.8 mt -95.83 -26.55 15.59 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.66 1.184 . . . . 0.0 111.961 168.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 99.45 26.59 8.59 Favored Glycine 0 CA--C 1.538 1.476 0 C-N-CA 127.253 2.359 . . . . 0.0 115.111 -175.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -132.53 177.72 7.39 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 125.665 1.586 . . . . 0.0 113.355 -176.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 22.5 mt -75.69 164.03 26.69 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 126.211 1.804 . . . . 0.0 111.831 168.671 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -128.32 142.79 13.85 Favored Glycine 0 CA--C 1.53 1.024 0 C-N-CA 124.277 0.941 . . . . 0.0 114.281 174.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -141.3 150.92 43.16 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.496 1.918 . . . . 0.0 111.129 174.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.8 t -78.91 127.47 32.05 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 121.565 -0.709 . . . . 0.0 110.724 168.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.8 mm -133.73 122.91 44.22 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 C-N-CA 126.742 2.017 . . . . 0.0 108.035 177.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.3 44.26 96.66 Favored Glycine 0 CA--C 1.536 1.372 0 O-C-N 121.425 -0.797 . . . . 0.0 114.052 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.8 mm-40 67.79 13.91 9.32 Favored 'General case' 0 CA--C 1.554 1.112 0 C-N-CA 125.957 1.703 . . . . 0.0 115.564 178.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -139.4 156.52 46.93 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 127.183 2.193 . . . . 0.0 111.776 179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.6 t -64.85 138.26 58.27 Favored 'General case' 0 CA--C 1.544 0.715 0 O-C-N 121.02 -1.05 . . . . 0.0 112.887 171.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.0 tppp? -136.74 129.54 30.66 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 128.181 2.592 . . . . 0.0 108.634 169.804 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 55.7 m -86.68 146.59 26.24 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 121.562 -0.711 . . . . 0.0 111.68 174.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 24.7 m -141.26 132.11 27.12 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 C-N-CA 124.202 1.001 . . . . 0.0 113.375 -169.635 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 21.0 m-85 . . . . . 0 C--O 1.251 1.164 0 C-N-CA 123.973 0.909 . . . . 0.0 110.7 167.347 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.802 0 CA-C-O 121.481 0.658 . . . . 0.0 112.06 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 93.3 m-85 -83.74 171.1 13.51 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.187 0.995 . . . . 0.0 110.201 166.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.4 t -55.94 126.66 26.78 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.511 1.124 . . . . 0.0 111.679 169.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -76.49 58.85 1.39 Allowed 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.356 1.863 . . . . 0.0 111.496 177.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -62.12 -49.36 76.19 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 126.243 1.817 . . . . 0.0 113.88 -168.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -63.51 -43.11 98.16 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-N 119.745 1.157 . . . . 0.0 113.68 -172.205 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 85.8 mtt180 -71.93 -29.14 63.98 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 124.075 0.95 . . . . 0.0 112.886 174.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.6 t -66.51 -58.01 6.11 Favored 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 123.6 0.76 . . . . 0.0 110.206 172.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -54.59 -47.44 73.33 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 125.155 1.382 . . . . 0.0 113.203 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 pp -63.11 -33.95 76.56 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.227 0.921 . . . . 0.0 111.662 179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.3 m -68.19 -45.91 72.1 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.38 0.672 . . . . 0.0 111.702 172.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 55.9 m -61.0 -42.79 99.13 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.287 1.035 . . . . 0.0 112.212 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 44.9 mtt180 -67.05 -25.47 66.27 Favored 'General case' 0 C--O 1.231 0.127 0 C-N-CA 125.152 1.381 . . . . 0.0 112.167 -177.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 14.4 p -65.43 -27.75 68.75 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 113.481 0.919 . . . . 0.0 113.481 170.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt -87.38 -14.04 41.75 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 124.929 1.292 . . . . 0.0 113.118 174.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.92 15.67 55.87 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 124.837 1.208 . . . . 0.0 114.904 -174.204 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.19 174.14 6.39 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.156 1.383 . . . . 0.0 111.117 176.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.5 mt -107.3 148.32 29.14 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 124.462 1.105 . . . . 0.0 111.645 -179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.77 144.33 17.11 Favored Glycine 0 CA--C 1.531 1.084 0 C-N-CA 124.121 0.867 . . . . 0.0 113.01 175.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.9 ptmt -144.23 145.17 31.89 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.205 1.002 . . . . 0.0 112.73 174.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.3 m -81.78 104.31 12.07 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 124.524 1.13 . . . . 0.0 111.198 176.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 12.5 mt -89.1 58.87 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 125.368 1.467 . . . . 0.0 108.235 175.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 94.5 -135.01 12.25 Favored Glycine 0 CA--C 1.532 1.099 0 C-N-CA 125.322 1.439 . . . . 0.0 111.274 -167.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.539 ' H ' ' CD ' ' A' ' 24' ' ' GLU . 0.3 OUTLIER -78.82 -4.62 50.43 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 125.522 1.529 . . . . 0.0 113.801 177.407 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -118.56 142.11 47.93 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 127.208 2.203 . . . . 0.0 110.942 -179.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.5 t -111.02 145.19 38.9 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 124.212 1.005 . . . . 0.0 112.788 -175.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.1 ttmt -139.05 143.52 38.42 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.445 1.098 . . . . 0.0 112.009 176.451 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.9 m -85.81 133.85 33.96 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 124.134 0.973 . . . . 0.0 111.989 171.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.2 m -132.22 134.15 59.66 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 N-CA-C 115.243 1.571 . . . . 0.0 115.243 -173.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 25.0 m-85 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 127.032 2.133 . . . . 0.0 111.619 168.332 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.585 0 CA-C-O 120.306 0.098 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -89.57 161.8 15.99 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.058 0.943 . . . . 0.0 111.01 169.032 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.9 p -73.58 129.76 38.63 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 121.218 -0.926 . . . . 0.0 110.448 169.513 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -85.14 69.23 10.75 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 125.547 1.539 . . . . 0.0 110.584 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -61.98 -45.08 95.21 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.933 1.293 . . . . 0.0 113.319 -170.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -63.39 -49.47 73.71 Favored 'General case' 0 N--CA 1.48 1.046 0 CA-C-N 119.341 0.973 . . . . 0.0 113.014 177.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 39.6 mtp180 -56.03 -35.43 66.87 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.851 0.86 . . . . 0.0 112.06 172.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.1 t -71.43 -53.09 15.18 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 124.731 1.212 . . . . 0.0 111.892 177.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 71.4 mt-10 -54.18 -44.99 72.0 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 120.701 1.591 . . . . 0.0 112.579 177.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -71.34 -25.6 62.46 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 122.707 0.403 . . . . 0.0 111.844 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.6 t -71.38 -45.31 63.16 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 123.773 0.829 . . . . 0.0 111.664 168.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.7 m -65.26 -23.45 67.05 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 125.729 1.612 . . . . 0.0 112.302 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -56.31 -33.44 65.57 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.747 1.219 . . . . 0.0 112.616 170.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 54.6 p -71.4 -5.58 33.81 Favored 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 175.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.6 mt -105.05 -16.7 14.73 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.376 1.47 . . . . 0.0 111.875 168.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.78 21.89 27.39 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 125.117 1.341 . . . . 0.0 115.236 -175.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -146.08 171.69 14.51 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.392 1.077 . . . . 0.0 113.66 -173.788 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.6 mt -81.55 170.37 15.96 Favored 'General case' 0 N--CA 1.465 0.283 0 C-N-CA 124.602 1.161 . . . . 0.0 112.58 176.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -119.3 141.68 15.95 Favored Glycine 0 CA--C 1.533 1.202 0 C-N-CA 125.285 1.422 . . . . 0.0 111.879 173.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -120.79 129.96 53.8 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 127.114 2.166 . . . . 0.0 110.908 -174.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 17.2 t -73.98 131.2 41.17 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.751 0.82 . . . . 0.0 112.43 178.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 17.7 mt -123.92 75.59 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.692 0 C-N-CA 127.166 2.186 . . . . 0.0 108.703 176.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 70.38 -98.4 0.66 Allowed Glycine 0 CA--C 1.531 1.059 0 C-N-CA 124.475 1.036 . . . . 0.0 113.613 177.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 11.0 pm0 -99.51 -1.84 37.38 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.26 1.424 . . . . 0.0 113.944 174.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.9 mt-10 -123.75 173.81 7.9 Favored 'General case' 0 N--CA 1.468 0.434 0 C-N-CA 125.055 1.342 . . . . 0.0 111.321 -178.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.7 t -143.24 148.29 36.19 Favored 'General case' 0 C--O 1.236 0.394 0 O-C-N 121.161 -0.962 . . . . 0.0 111.522 173.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -137.37 137.43 38.86 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.156 1.382 . . . . 0.0 110.946 -172.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.8 m -78.96 135.47 36.95 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.905 -0.497 . . . . 0.0 112.129 -177.635 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 18.5 m -131.95 125.29 54.81 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 124.53 1.132 . . . . 0.0 112.807 -173.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 85.4 m-85 . . . . . 0 C--O 1.252 1.223 0 C-N-CA 128.532 2.733 . . . . 0.0 114.474 178.614 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.64 0 CA-C-O 120.978 0.418 . . . . 0.0 111.129 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.7 m-85 -80.0 162.3 24.96 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 125.222 1.409 . . . . 0.0 112.922 -176.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 15.6 p -57.49 135.52 56.62 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.897 1.279 . . . . 0.0 113.297 173.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -75.69 67.64 2.17 Favored 'General case' 0 CA--C 1.546 0.827 0 C-N-CA 126.782 2.033 . . . . 0.0 111.122 -176.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 54.9 tp -58.04 -37.98 75.41 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 120.335 -1.478 . . . . 0.0 113.274 -173.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -64.89 -22.39 66.99 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 124.248 1.019 . . . . 0.0 113.176 177.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 90.4 mtt-85 -93.82 -21.87 19.01 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 125.616 1.566 . . . . 0.0 113.081 173.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 51.8 t -71.73 -44.95 63.22 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.371 1.069 . . . . 0.0 111.532 169.675 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.12 -49.47 73.8 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 123.912 0.885 . . . . 0.0 112.252 174.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -68.66 -25.44 64.82 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.343 -0.848 . . . . 0.0 113.173 179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.7 t -69.91 -51.21 34.93 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 124.877 1.271 . . . . 0.0 111.337 172.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.2 m -68.14 -25.48 65.3 Favored 'General case' 0 CA--C 1.537 0.476 0 O-C-N 121.132 -0.98 . . . . 0.0 113.038 -178.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 27.7 ttm180 -59.67 -18.23 40.42 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 113.561 0.948 . . . . 0.0 113.561 168.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 13.6 t -61.36 -34.22 74.95 Favored 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 119.284 0.947 . . . . 0.0 112.711 169.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 33.0 mt -83.95 -34.57 24.41 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 124.34 1.056 . . . . 0.0 111.142 168.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.23 3.94 31.08 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 126.328 1.918 . . . . 0.0 114.484 -176.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -98.06 173.38 7.07 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 125.187 1.395 . . . . 0.0 111.333 176.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.5 pp -75.59 154.16 36.9 Favored 'General case' 0 N--CA 1.465 0.286 0 C-N-CA 124.13 0.972 . . . . 0.0 112.12 170.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -103.93 140.72 15.04 Favored Glycine 0 CA--C 1.527 0.831 0 C-N-CA 124.875 1.226 . . . . 0.0 111.307 169.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 17.2 ttmm -135.58 137.71 42.25 Favored 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.174 1.389 . . . . 0.0 109.601 -179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 37.3 t -88.19 122.32 31.61 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-O 121.5 0.667 . . . . 0.0 110.58 173.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 21.8 mm -89.85 65.63 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.605 0 C-N-CA 124.66 1.184 . . . . 0.0 108.904 176.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 73.83 -46.19 1.41 Allowed Glycine 0 CA--C 1.536 1.353 0 C-N-CA 126.625 2.06 . . . . 0.0 115.06 -175.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 72.7 mm-40 -140.65 -13.79 0.97 Allowed 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 114.733 1.383 . . . . 0.0 114.733 -175.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -137.78 145.32 42.24 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 120.992 -1.067 . . . . 0.0 111.926 -170.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 29.0 t -80.72 136.41 36.16 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.575 1.15 . . . . 0.0 113.204 -175.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.5 ttmm -138.99 143.53 38.54 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.406 1.483 . . . . 0.0 110.307 169.509 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.8 m -97.12 141.46 30.22 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.794 0.838 . . . . 0.0 111.158 176.107 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.0 m -141.36 141.35 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.127 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 . . . . . 0 C--O 1.252 1.23 0 C-N-CA 127.287 2.235 . . . . 0.0 115.227 -173.284 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.742 0 N-CA-C 109.7 -0.481 . . . . 0.0 109.7 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -71.41 148.74 46.63 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 123.671 0.788 . . . . 0.0 112.643 174.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 48.9 t -82.57 135.16 35.15 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.906 0.882 . . . . 0.0 112.595 172.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -84.09 68.55 10.12 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 126.093 1.757 . . . . 0.0 112.244 173.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.48 -42.59 96.59 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 120.995 -1.066 . . . . 0.0 112.157 -178.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 21.4 mtm180 -66.48 -50.52 63.02 Favored 'General case' 0 N--CA 1.478 0.963 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -179.344 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 48.8 mtm180 -65.67 -18.74 65.54 Favored 'General case' 0 N--CA 1.483 1.213 0 N-CA-C 113.278 0.844 . . . . 0.0 113.278 175.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.4 t -81.44 -55.76 4.48 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 124.482 1.113 . . . . 0.0 112.794 170.331 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -52.96 -41.39 64.49 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 125.558 1.543 . . . . 0.0 113.017 -176.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.7 pp -61.49 -32.88 72.92 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-N 118.396 0.544 . . . . 0.0 112.394 177.669 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 19.6 p -71.74 -43.83 65.15 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 121.433 -0.792 . . . . 0.0 112.076 174.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 16.1 m -60.92 -29.71 69.76 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 123.75 0.82 . . . . 0.0 110.811 175.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.12 -34.72 76.88 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.612 1.165 . . . . 0.0 112.628 173.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.9 t -64.24 -36.38 83.9 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.849 0.86 . . . . 0.0 111.814 173.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.7 mt -77.64 -19.51 55.34 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 124.137 0.975 . . . . 0.0 112.547 174.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.13 27.32 40.94 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 125.445 1.498 . . . . 0.0 114.685 -176.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -136.62 170.91 15.29 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 126.128 1.771 . . . . 0.0 112.715 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 30.4 mt -79.4 152.19 30.5 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 124.959 1.304 . . . . 0.0 113.875 -179.761 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.74 147.23 17.42 Favored Glycine 0 CA--C 1.536 1.367 0 C-N-CA 125.762 1.649 . . . . 0.0 112.472 168.641 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.3 tppt? -141.74 132.0 24.98 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.5 1.52 . . . . 0.0 111.375 -175.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.5 m -75.17 130.5 39.29 Favored 'General case' 0 CA--C 1.536 0.407 0 O-C-N 121.484 -0.76 . . . . 0.0 111.668 172.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.9 mt -126.08 72.72 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 125.647 1.579 . . . . 0.0 107.239 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.93 -147.56 30.75 Favored Glycine 0 CA--C 1.537 1.432 0 N-CA-C 110.295 -1.122 . . . . 0.0 110.295 -165.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.0 pm0 -69.74 3.78 2.33 Favored 'General case' 0 CA--C 1.553 1.09 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 -173.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -141.32 152.32 44.34 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 125.802 1.641 . . . . 0.0 111.647 175.438 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 17.8 t -105.63 155.78 18.89 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.04 1.336 . . . . 0.0 113.268 -177.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -143.88 146.1 32.77 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 127.276 2.231 . . . . 0.0 109.96 -178.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.7 m -83.54 150.87 25.69 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 123.526 0.731 . . . . 0.0 112.517 178.262 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 m -144.39 130.56 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.945 0 C-N-CA 125.923 1.689 . . . . 0.0 111.665 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 56.7 m-85 . . . . . 0 C--O 1.255 1.355 0 C-N-CA 125.165 1.386 . . . . 0.0 112.433 175.582 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.978 0 CA-C-O 119.188 -0.435 . . . . 0.0 111.423 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 56.1 m-85 -53.55 135.02 40.87 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.042 1.337 . . . . 0.0 113.505 -174.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.8 p -74.4 146.28 43.07 Favored 'General case' 0 CA--C 1.547 0.858 0 N-CA-C 116.291 1.96 . . . . 0.0 116.291 -169.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -72.06 50.68 0.21 Allowed 'General case' 0 CA--C 1.554 1.128 0 C-N-CA 128.474 2.709 . . . . 0.0 114.169 174.241 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -57.76 -50.85 71.88 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 124.758 1.223 . . . . 0.0 114.193 -169.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 mtp180 -57.79 -43.08 85.38 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 119.995 1.271 . . . . 0.0 112.598 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 50.8 mmm-85 -71.17 -25.3 62.48 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 124.595 1.158 . . . . 0.0 113.417 176.759 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 26.4 t -76.95 -49.32 15.79 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.982 0.913 . . . . 0.0 112.769 173.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -53.99 -40.39 66.88 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-N 118.788 0.722 . . . . 0.0 112.161 -178.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -70.92 -24.26 62.42 Favored 'General case' 0 N--CA 1.47 0.541 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 178.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.3 t -70.6 -48.94 52.62 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 121.222 -0.924 . . . . 0.0 111.476 171.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.7 m -64.15 -31.1 72.18 Favored 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 124.271 1.028 . . . . 0.0 112.521 -178.295 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.7 ttp180 -53.56 -32.03 49.08 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 126.072 1.749 . . . . 0.0 112.601 173.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 53.2 p -71.19 -32.42 68.85 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 113.152 0.797 . . . . 0.0 113.152 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 17.5 mt -76.67 -26.66 55.04 Favored 'General case' 0 N--CA 1.47 0.558 0 C-N-CA 124.124 0.97 . . . . 0.0 111.502 177.491 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 98.55 24.3 11.22 Favored Glycine 0 CA--C 1.53 1.019 0 C-N-CA 125.792 1.663 . . . . 0.0 114.579 -174.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.11 167.13 22.93 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 125.08 1.352 . . . . 0.0 112.697 -178.077 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 38.3 mt -82.68 151.0 26.45 Favored 'General case' 0 N--CA 1.469 0.498 0 C-N-CA 123.642 0.777 . . . . 0.0 112.612 -177.606 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -95.49 127.85 9.3 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 110.241 -1.144 . . . . 0.0 110.241 168.409 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -124.45 122.85 38.78 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 118.121 0.961 . . . . 0.0 110.793 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 15.2 t -85.15 109.39 18.25 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 124.335 1.054 . . . . 0.0 111.378 176.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 38.2 mt -140.37 121.37 14.34 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.525 0 C-N-CA 124.889 1.276 . . . . 0.0 108.833 -177.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 81.23 31.14 35.26 Favored Glycine 0 CA--C 1.536 1.354 0 O-C-N 121.721 -0.612 . . . . 0.0 113.508 -171.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 58.91 34.21 23.5 Favored 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.211 1.804 . . . . 0.0 112.294 -176.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -156.5 138.49 14.45 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.586 1.554 . . . . 0.0 110.336 178.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.4 t -98.26 137.27 37.25 Favored 'General case' 0 CA--C 1.538 0.509 0 N-CA-C 114.199 1.185 . . . . 0.0 114.199 -178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -137.23 139.12 40.82 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 127.222 2.209 . . . . 0.0 109.276 -175.57 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.2 m -81.83 128.34 33.92 Favored 'General case' 0 CA--C 1.537 0.469 0 C-N-CA 123.178 0.591 . . . . 0.0 111.245 178.175 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 15.6 m -144.8 143.35 22.71 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 125.886 1.674 . . . . 0.0 113.086 -177.147 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.2 m-85 . . . . . 0 C--O 1.253 1.286 0 C-N-CA 127.949 2.499 . . . . 0.0 115.465 179.905 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.588 0 CA-C-O 120.628 0.252 . . . . 0.0 111.205 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 42.8 m-85 -76.57 175.42 9.29 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.461 1.104 . . . . 0.0 111.86 170.071 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.5 p -51.58 137.8 23.91 Favored 'General case' 0 CA--C 1.542 0.659 0 C-N-CA 124.052 0.941 . . . . 0.0 112.923 175.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -75.23 58.5 0.94 Allowed 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 126.933 2.093 . . . . 0.0 112.859 -170.355 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 44.2 tp -59.16 -33.66 71.18 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.837 1.655 . . . . 0.0 113.686 -171.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.25 -42.01 76.2 Favored 'General case' 0 N--CA 1.478 0.938 0 CA-C-N 120.292 1.405 . . . . 0.0 112.563 176.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -67.99 -30.33 69.56 Favored 'General case' 0 N--CA 1.48 1.075 0 C-N-CA 124.988 1.315 . . . . 0.0 112.019 176.316 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.0 t -71.64 -52.27 18.86 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 124.339 1.056 . . . . 0.0 111.969 169.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 66.5 mt-10 -53.61 -39.11 64.66 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.602 1.161 . . . . 0.0 112.416 179.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -69.97 -34.6 73.59 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 119.32 0.964 . . . . 0.0 113.035 176.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 69.4 m -68.75 -34.73 76.08 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 118.797 0.726 . . . . 0.0 112.897 173.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.9 m -77.06 -30.42 55.57 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.603 -0.685 . . . . 0.0 111.721 177.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.6 ttp85 -57.43 -36.03 70.84 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 124.8 1.24 . . . . 0.0 112.879 173.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.2 m -63.49 -35.85 81.81 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 123.05 0.54 . . . . 0.0 112.327 173.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.5 mt -72.87 -28.3 62.43 Favored 'General case' 0 N--CA 1.475 0.777 0 CA-C-N 119.125 0.875 . . . . 0.0 112.852 173.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.22 34.99 7.75 Favored Glycine 0 CA--C 1.531 1.071 0 C-N-CA 124.831 1.205 . . . . 0.0 113.447 -171.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -144.68 166.99 23.62 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.505 1.122 . . . . 0.0 111.917 175.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.1 mt -74.66 160.33 30.95 Favored 'General case' 0 N--CA 1.466 0.358 0 C-N-CA 123.961 0.904 . . . . 0.0 112.46 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -113.89 135.18 12.31 Favored Glycine 0 CA--C 1.53 0.981 0 C-N-CA 124.903 1.239 . . . . 0.0 110.782 169.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.9 mmtt -137.96 142.37 40.51 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.416 1.487 . . . . 0.0 111.442 -177.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.0 t -91.1 134.22 34.7 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.833 1.253 . . . . 0.0 111.988 -177.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.8 tt -150.4 103.57 0.32 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.685 0 C-N-CA 125.154 1.382 . . . . 0.0 111.264 -179.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.22 51.78 5.98 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 125.007 1.289 . . . . 0.0 114.397 -178.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 64.6 14.48 9.02 Favored 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 125.899 1.68 . . . . 0.0 115.424 178.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 6.3 tp10 -148.17 154.41 40.1 Favored 'General case' 0 N--CA 1.47 0.53 0 C-N-CA 125.155 1.382 . . . . 0.0 110.648 171.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 45.6 t -115.38 139.32 50.11 Favored 'General case' 0 C--O 1.24 0.6 0 C-N-CA 124.779 1.231 . . . . 0.0 113.733 -173.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.2 ptmt -127.6 168.26 15.24 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 127.565 2.346 . . . . 0.0 111.08 179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 20.4 m -93.45 143.53 26.2 Favored 'General case' 0 CA--C 1.541 0.609 0 N-CA-C 112.819 0.674 . . . . 0.0 112.819 177.197 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.4 m -141.38 127.55 19.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 C-N-CA 124.357 1.063 . . . . 0.0 112.556 -179.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 . . . . . 0 C--O 1.252 1.237 0 C-N-CA 126.272 1.829 . . . . 0.0 112.352 170.073 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 110.102 -0.333 . . . . 0.0 110.102 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -59.82 149.67 30.55 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.539 0.685 . . . . 0.0 112.161 177.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.6 t -73.25 152.5 40.99 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.115 0.966 . . . . 0.0 111.055 175.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 68.5 m-80 -118.61 103.95 10.18 Favored 'General case' 0 CA--C 1.536 0.428 0 C-N-CA 125.0 1.32 . . . . 0.0 109.803 177.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.0 tp -56.2 -39.57 72.64 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.468 1.107 . . . . 0.0 113.729 -168.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -66.8 -35.53 80.27 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -178.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -75.41 -33.28 60.94 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.933 1.693 . . . . 0.0 112.365 176.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 53.6 t -64.9 -53.06 52.54 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 123.87 0.868 . . . . 0.0 110.824 170.754 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.61 -48.94 74.06 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.007 1.323 . . . . 0.0 113.417 177.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 pp -66.14 -26.68 67.55 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 118.677 0.671 . . . . 0.0 112.528 -178.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 51.0 m -74.81 -43.18 56.04 Favored 'General case' 0 CA--C 1.537 0.444 0 C-N-CA 123.968 0.907 . . . . 0.0 112.032 173.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 57.6 m -67.49 -25.47 65.88 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.098 0.959 . . . . 0.0 112.411 176.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.79 -33.41 23.3 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.994 1.718 . . . . 0.0 113.842 170.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 42.6 t -70.56 -33.4 71.06 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 123.849 0.86 . . . . 0.0 112.511 177.651 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.1 mt -74.83 -29.79 61.17 Favored 'General case' 0 N--CA 1.472 0.666 0 O-C-N 121.355 -0.841 . . . . 0.0 112.331 175.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.15 31.14 5.43 Favored Glycine 0 CA--C 1.537 1.46 0 C-N-CA 125.848 1.689 . . . . 0.0 114.411 -173.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.8 173.9 14.19 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 114.648 1.351 . . . . 0.0 114.648 -175.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.7 pp -79.41 152.33 30.4 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.0 1.32 . . . . 0.0 113.322 179.064 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -112.55 149.36 18.38 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 125.121 1.343 . . . . 0.0 113.592 174.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.1 ptmt -145.67 144.2 30.27 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.424 1.489 . . . . 0.0 112.385 178.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 92.9 m -89.82 133.66 34.61 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.376 1.07 . . . . 0.0 111.285 173.207 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 13.7 tt -154.85 132.09 2.27 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.734 0 C-N-CA 126.199 1.799 . . . . 0.0 110.749 177.354 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.45 37.18 93.69 Favored Glycine 0 CA--C 1.542 1.739 0 O-C-N 120.529 -1.357 . . . . 0.0 114.609 176.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 59.19 29.33 18.87 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 125.558 1.543 . . . . 0.0 114.208 -172.058 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -147.76 149.96 33.36 Favored 'General case' 0 CA--C 1.546 0.796 0 O-C-N 121.24 -0.912 . . . . 0.0 113.317 177.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.1 t -77.35 141.6 39.77 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 125.088 1.355 . . . . 0.0 112.701 175.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -134.41 136.47 43.32 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 126.323 1.849 . . . . 0.0 109.913 169.013 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.8 m -97.84 139.86 33.07 Favored 'General case' 0 CA--C 1.546 0.819 0 C-N-CA 123.115 0.566 . . . . 0.0 111.601 170.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.6 m -137.64 135.27 46.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.136 0 C-N-CA 123.844 0.858 . . . . 0.0 113.107 -179.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 . . . . . 0 C--O 1.254 1.315 0 C-N-CA 125.219 1.407 . . . . 0.0 112.9 176.414 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.47 0.555 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 67.3 m-85 -78.91 144.7 34.62 Favored 'General case' 0 CA--C 1.532 0.26 0 C-N-CA 123.834 0.853 . . . . 0.0 112.289 -176.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 17.1 t -57.73 153.4 13.64 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.314 1.446 . . . . 0.0 113.373 173.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 38.9 m-80 -64.72 100.09 0.37 Allowed 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.907 0.883 . . . . 0.0 110.647 168.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 61.7 tp -66.8 -44.99 79.79 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 125.07 1.348 . . . . 0.0 112.518 176.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -66.48 -40.91 89.59 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.33 -0.856 . . . . 0.0 112.57 -172.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -61.9 -25.83 67.8 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.678 1.191 . . . . 0.0 112.787 175.069 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.4 t -79.91 -51.8 8.66 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.881 1.272 . . . . 0.0 111.617 169.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 56.2 mt-10 -52.22 -43.29 64.19 Favored 'General case' 0 N--CA 1.479 1.008 0 N-CA-C 113.703 1.001 . . . . 0.0 113.703 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.3 pp -67.59 -35.11 78.37 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.157 0.583 . . . . 0.0 112.495 179.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.9 t -70.65 -36.06 73.21 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.815 -0.553 . . . . 0.0 112.121 174.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.5 m -67.16 -30.96 71.07 Favored 'General case' 0 CA--C 1.543 0.683 0 O-C-N 121.322 -0.861 . . . . 0.0 112.314 172.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? -59.94 -28.89 68.01 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.13 0.972 . . . . 0.0 112.316 174.314 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.3 m -64.42 -16.6 62.67 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.449 1.278 . . . . 0.0 114.449 173.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 14.3 mt -100.88 -14.76 17.81 Favored 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.712 1.205 . . . . 0.0 112.24 170.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 87.8 26.07 30.49 Favored Glycine 0 CA--C 1.536 1.379 0 C-N-CA 125.546 1.545 . . . . 0.0 114.813 -171.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -127.31 169.57 13.41 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 118.991 1.396 . . . . 0.0 113.307 179.733 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.6 pp -88.0 158.99 18.48 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.238 1.015 . . . . 0.0 111.168 179.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -114.53 150.47 18.66 Favored Glycine 0 CA--C 1.532 1.147 0 C-N-CA 124.011 0.815 . . . . 0.0 114.255 179.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.4 mmtt -141.26 150.35 42.49 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 128.16 2.584 . . . . 0.0 108.446 174.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 13.2 t -129.68 121.18 26.45 Favored 'General case' 0 N--CA 1.469 0.518 0 O-C-N 121.426 -0.796 . . . . 0.0 112.716 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 84.9 mt -135.03 133.91 53.35 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 124.35 1.06 . . . . 0.0 109.671 -175.364 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 63.78 44.36 96.36 Favored Glycine 0 CA--C 1.532 1.106 0 CA-C-O 119.257 -0.746 . . . . 0.0 112.812 178.325 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 63.39 3.23 1.35 Allowed 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 127.31 2.244 . . . . 0.0 115.389 -172.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -123.31 133.29 54.16 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 120.865 -1.147 . . . . 0.0 113.799 -169.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 39.5 t -70.54 145.44 50.82 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.665 1.186 . . . . 0.0 113.463 178.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -140.86 145.05 35.69 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.047 1.739 . . . . 0.0 110.366 167.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 32.9 m -114.84 140.75 48.69 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 125.646 1.578 . . . . 0.0 111.743 178.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.7 m -139.13 137.77 41.59 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 C-N-CA 123.983 0.913 . . . . 0.0 113.229 -178.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 . . . . . 0 C--O 1.262 1.747 0 C-N-CA 125.045 1.338 . . . . 0.0 110.469 169.423 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.693 0 N-CA-C 110.619 -0.141 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 53.5 m-85 -64.19 153.21 38.62 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 -177.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.2 p -61.48 154.44 24.53 Favored 'General case' 0 CA--C 1.546 0.798 0 N-CA-C 114.147 1.165 . . . . 0.0 114.147 -176.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -112.45 93.02 4.23 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 126.639 1.976 . . . . 0.0 111.64 -169.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 59.9 tp -68.08 -50.54 54.37 Favored 'General case' 0 CA--C 1.54 0.561 0 N-CA-C 114.372 1.249 . . . . 0.0 114.372 -169.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 28.3 ttp85 -69.08 -28.66 66.71 Favored 'General case' 0 N--CA 1.477 0.896 0 O-C-N 120.84 -1.162 . . . . 0.0 112.924 -176.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 82.8 mtt180 -72.5 -30.56 64.61 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 124.291 1.037 . . . . 0.0 112.957 168.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.72 -47.76 71.3 Favored 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 118.461 0.573 . . . . 0.0 110.043 170.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -53.35 -50.39 65.13 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.204 1.001 . . . . 0.0 113.576 175.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.11 -29.79 67.94 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.584 0.629 . . . . 0.0 112.45 -178.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.1 m -72.17 -44.75 62.56 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.666 0.786 . . . . 0.0 111.853 174.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.1 m -65.15 -30.76 71.71 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.082 -1.012 . . . . 0.0 112.083 176.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.2 tpp180 -61.48 -23.57 65.98 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-O 118.093 -0.956 . . . . 0.0 112.83 176.188 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 59.5 p -61.42 -28.01 68.95 Favored 'General case' 0 N--CA 1.478 0.939 0 CA-C-N 119.299 0.954 . . . . 0.0 113.232 170.718 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mt -84.32 -19.05 34.36 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 125.379 1.472 . . . . 0.0 112.927 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 97.11 22.1 18.46 Favored Glycine 0 CA--C 1.54 1.606 0 C-N-CA 125.716 1.626 . . . . 0.0 115.47 -172.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -148.79 169.03 21.38 Favored 'General case' 0 CA--C 1.548 0.875 0 C-N-CA 125.151 1.38 . . . . 0.0 113.898 -174.07 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 pp -81.72 162.53 22.94 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.464 1.506 . . . . 0.0 113.499 -177.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -124.07 149.14 16.88 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 124.477 1.037 . . . . 0.0 115.431 176.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -139.11 159.97 40.89 Favored 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 127.343 2.257 . . . . 0.0 112.69 169.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.5 t -86.97 121.18 29.08 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.188 0.995 . . . . 0.0 111.357 170.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 56.2 mt -138.92 122.0 18.6 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 C-N-CA 126.346 1.859 . . . . 0.0 108.48 -173.187 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 61.16 34.14 86.9 Favored Glycine 0 CA--C 1.537 1.458 0 O-C-N 121.228 -0.92 . . . . 0.0 114.035 -170.139 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 57.58 28.93 16.37 Favored 'General case' 0 N--CA 1.481 1.075 0 C-N-CA 126.114 1.766 . . . . 0.0 115.244 -172.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -145.32 154.82 42.74 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 125.831 1.652 . . . . 0.0 110.855 172.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.8 t -62.19 142.13 57.82 Favored 'General case' 0 CA--C 1.545 0.758 0 O-C-N 120.732 -1.23 . . . . 0.0 113.4 179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.1 tttt -141.06 141.05 34.32 Favored 'General case' 0 N--CA 1.465 0.279 0 C-N-CA 126.749 2.02 . . . . 0.0 109.615 169.15 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 16.0 m -109.73 134.23 52.23 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 124.594 1.157 . . . . 0.0 111.685 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.8 m -133.33 135.37 56.36 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 124.332 1.053 . . . . 0.0 112.733 -177.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 71.9 m-85 . . . . . 0 C--O 1.253 1.264 0 C-N-CA 125.537 1.535 . . . . 0.0 112.335 174.81 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.65 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 26.5 m-85 -55.82 158.68 3.54 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 126.452 1.901 . . . . 0.0 113.651 176.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 30.6 p -72.38 136.56 46.14 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.716 0.77 . . . . 0.0 113.057 -179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -91.21 71.91 6.23 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.393 1.477 . . . . 0.0 108.868 174.583 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 58.6 tp -68.61 -42.45 78.13 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.069 0.947 . . . . 0.0 112.812 -169.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.58 -44.01 89.64 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 119.256 0.935 . . . . 0.0 111.831 178.352 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 95.2 mtt180 -72.29 -27.08 62.23 Favored 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 114.124 1.157 . . . . 0.0 114.124 173.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 42.1 t -66.2 -50.88 62.34 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 119.011 0.823 . . . . 0.0 110.824 171.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.3 mt-10 -56.7 -42.24 78.77 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 124.791 1.236 . . . . 0.0 113.833 -178.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 pp -72.71 -28.63 62.78 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 112.044 0.386 . . . . 0.0 112.044 176.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 24.3 m -71.79 -39.79 69.66 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.383 0.673 . . . . 0.0 111.722 173.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.2 m -61.31 -28.9 69.54 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.804 1.241 . . . . 0.0 111.956 172.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.7 ttp180 -62.53 -22.25 66.16 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.873 0.869 . . . . 0.0 113.143 174.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 45.7 p -67.68 -30.55 70.11 Favored 'General case' 0 N--CA 1.479 0.991 0 CA-C-N 119.218 0.917 . . . . 0.0 112.948 170.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 10.3 mt -75.89 -31.08 59.04 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.27 1.028 . . . . 0.0 111.09 169.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.99 13.1 7.97 Favored Glycine 0 CA--C 1.539 1.563 0 C-N-CA 127.157 2.313 . . . . 0.0 114.926 179.788 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -139.56 176.21 8.92 Favored 'General case' 0 CA--C 1.548 0.879 0 N-CA-C 114.591 1.33 . . . . 0.0 114.591 -167.774 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 3.1 pp -85.18 167.18 15.94 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.461 1.504 . . . . 0.0 113.198 178.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -125.76 152.07 17.9 Favored Glycine 0 CA--C 1.537 1.416 0 C-N-CA 125.09 1.328 . . . . 0.0 114.241 176.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.1 mtpt -138.18 132.23 31.56 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.454 1.902 . . . . 0.0 111.207 -173.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 33.5 t -79.7 133.21 36.35 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 124.236 1.014 . . . . 0.0 111.836 179.737 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 28.2 mm -96.54 -15.48 7.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 126.769 2.028 . . . . 0.0 112.251 -178.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.5 -77.89 0.21 Allowed Glycine 0 CA--C 1.526 0.774 0 C-N-CA 126.751 2.12 . . . . 0.0 110.185 -179.061 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -104.97 -30.11 10.02 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 125.485 1.514 . . . . 0.0 112.126 169.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 21.1 mm-40 -92.63 171.18 9.17 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.601 1.161 . . . . 0.0 112.1 173.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 40.1 t -144.08 139.94 29.2 Favored 'General case' 0 CA--C 1.54 0.566 0 C-N-CA 125.114 1.366 . . . . 0.0 110.902 177.741 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -121.21 152.53 38.71 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.426 1.491 . . . . 0.0 111.522 179.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 19.9 m -93.57 144.02 25.76 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.655 0.782 . . . . 0.0 111.715 176.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.1 m -139.03 136.62 42.51 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.354 0 N-CA-C 113.393 0.886 . . . . 0.0 113.393 177.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 . . . . . 0 C--O 1.254 1.327 0 C-N-CA 126.744 2.018 . . . . 0.0 115.305 -179.806 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.769 0 N-CA-C 109.589 -0.522 . . . . 0.0 109.589 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 28.1 m-85 -88.11 155.53 19.74 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.523 1.129 . . . . 0.0 113.038 179.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.4 p -77.62 132.94 38.5 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.641 0.777 . . . . 0.0 111.351 169.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -71.49 52.42 0.2 Allowed 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 127.792 2.437 . . . . 0.0 112.993 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 55.2 tp -58.37 -36.9 74.19 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 120.532 -1.355 . . . . 0.0 113.58 -169.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -64.86 -49.24 71.3 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 119.468 1.031 . . . . 0.0 111.533 179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -71.93 -30.38 65.28 Favored 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.201 1.001 . . . . 0.0 112.402 177.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.5 t -65.02 -53.59 43.67 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 124.68 1.192 . . . . 0.0 111.062 171.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -55.53 -42.05 74.01 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 120.823 -1.173 . . . . 0.0 112.982 -179.625 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.2 pp -72.9 -32.12 65.14 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-N 118.899 0.772 . . . . 0.0 112.3 178.187 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 64.6 m -66.02 -40.12 90.8 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 124.117 0.967 . . . . 0.0 112.19 172.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 54.8 m -73.02 -35.12 66.73 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 124.53 1.132 . . . . 0.0 112.124 177.381 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 42.7 ttm-85 -55.99 -31.33 62.94 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 124.304 1.041 . . . . 0.0 112.918 174.384 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 37.0 t -56.59 -40.99 76.22 Favored 'General case' 0 N--CA 1.476 0.827 0 N-CA-C 112.943 0.72 . . . . 0.0 112.943 172.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 13.9 mt -79.54 -14.96 58.5 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.714 1.206 . . . . 0.0 113.264 177.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.8 18.65 50.66 Favored Glycine 0 CA--C 1.536 1.378 0 C-N-CA 124.628 1.108 . . . . 0.0 114.985 -173.137 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -124.8 165.91 17.16 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-N 118.817 1.309 . . . . 0.0 112.433 179.137 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.4 pp -83.67 153.81 24.02 Favored 'General case' 0 N--CA 1.466 0.36 0 C-N-CA 124.268 1.027 . . . . 0.0 111.329 175.694 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.22 141.64 15.41 Favored Glycine 0 CA--C 1.531 1.079 0 C-N-CA 124.902 1.239 . . . . 0.0 111.808 169.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 38.1 ttmt -137.32 131.84 32.78 Favored 'General case' 0 N--CA 1.472 0.628 0 C-N-CA 124.575 1.15 . . . . 0.0 111.397 -174.636 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 31.3 t -82.23 130.72 35.16 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 124.364 1.065 . . . . 0.0 112.492 -176.328 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 55.4 mt -123.77 91.45 1.84 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.492 0 C-N-CA 127.05 2.14 . . . . 0.0 108.07 176.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.18 -118.45 11.15 Favored Glycine 0 CA--C 1.532 1.136 0 O-C-N 121.382 -0.824 . . . . 0.0 112.65 -175.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -89.16 4.35 48.86 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 125.127 1.371 . . . . 0.0 113.649 171.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -111.02 161.67 15.64 Favored 'General case' 0 CA--C 1.536 0.433 0 C-N-CA 125.84 1.656 . . . . 0.0 112.25 -178.076 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.5 t -138.41 139.93 39.13 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.356 -0.84 . . . . 0.0 111.727 169.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 tppt? -129.34 144.27 51.17 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.563 1.945 . . . . 0.0 110.249 -174.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.1 m -86.56 142.78 28.05 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 118.92 0.782 . . . . 0.0 111.058 172.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.9 m -135.01 126.37 46.66 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.034 0 N-CA-C 113.281 0.845 . . . . 0.0 113.281 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.7 m-85 . . . . . 0 C--O 1.246 0.884 0 C-N-CA 127.328 2.251 . . . . 0.0 113.692 -176.479 . . . . . . . . 0 0 . 1 stop_ save_