data_6d8q_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 6d8q _Structure_validation_residue.Date_analyzed 2019-04-26 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 . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.613 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -89.52 84.47 6.38 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.147 1.779 . . . . 0.0 107.77 -176.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.4 tp -57.86 -47.19 83.44 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.329 1.052 . . . . 0.0 113.588 -169.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -56.38 -46.88 79.89 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.4 0.68 . . . . 0.0 112.204 175.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -65.32 -38.76 91.16 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.422 1.01 . . . . 0.0 112.444 174.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.9 t -66.11 -44.05 85.46 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.48 1.512 . . . . 0.0 112.559 177.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -60.67 -41.42 95.05 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.281 1.432 . . . . 0.0 111.852 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.88 -34.77 75.98 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.189 0.996 . . . . 0.0 112.496 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -62.43 -47.53 83.69 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.607 0.763 . . . . 0.0 111.471 173.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.4 m -71.91 -30.69 65.62 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.185 -0.947 . . . . 0.0 113.237 176.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -54.34 -41.1 68.67 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.204 1.002 . . . . 0.0 111.458 173.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.4 m -60.73 -28.08 68.41 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 176.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 mt -92.93 -9.36 40.35 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.32 1.448 . . . . 0.0 113.928 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.87 23.64 55.08 Favored Glycine 0 N--CA 1.469 0.88 0 C-N-CA 126.127 1.823 . . . . 0.0 112.682 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.1 mt -111.48 170.09 8.36 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.34 1.856 . . . . 0.0 110.319 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.3 mt -99.36 135.73 40.35 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 118.759 -0.639 . . . . 0.0 110.507 170.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.65 140.87 15.26 Favored Glycine 0 N--CA 1.47 0.923 0 C-N-CA 123.585 0.612 . . . . 0.0 114.074 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.19 143.98 34.52 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.466 1.507 . . . . 0.0 111.242 177.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.9 t -84.18 120.27 25.99 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 123.991 0.916 . . . . 0.0 111.595 172.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.8 mm -133.0 99.82 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.93 1.692 . . . . 0.0 109.501 -174.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.99 53.32 46.14 Favored Glycine 0 CA--C 1.537 1.454 0 O-C-N 121.006 -1.059 . . . . 0.0 114.413 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 62.55 14.74 7.31 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.398 1.879 . . . . 0.0 115.272 -174.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -128.34 136.79 51.44 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.291 1.837 . . . . 0.0 110.792 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 40.2 t -80.73 132.19 35.52 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.52 -0.738 . . . . 0.0 110.929 174.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -137.57 150.15 47.25 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.696 1.198 . . . . 0.0 110.967 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.5 m -113.97 152.41 30.91 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.185 0.994 . . . . 0.0 112.621 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.5 m -135.23 149.32 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 125.14 1.376 . . . . 0.0 112.09 173.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -63.03 -59.33 4.96 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -174.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.256 1.417 0 C-N-CA 128.369 2.668 . . . . 0.0 115.345 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 CA--C 1.534 0.36 0 CA-C-O 120.863 0.363 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -130.67 71.6 1.47 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.611 1.164 . . . . 0.0 110.285 169.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 tp -59.87 -38.0 80.93 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.721 -1.237 . . . . 0.0 113.214 -171.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -60.63 -36.22 78.12 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 118.613 -0.708 . . . . 0.0 112.907 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -72.89 -46.33 53.32 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.781 1.232 . . . . 0.0 110.948 168.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.9 t -55.11 -46.01 75.53 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.576 1.55 . . . . 0.0 113.006 -177.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.37 -40.71 87.38 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.463 1.105 . . . . 0.0 112.94 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.0 mt -70.45 -36.54 73.99 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.815 0.846 . . . . 0.0 112.106 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.2 t -62.81 -46.88 85.9 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.482 0.713 . . . . 0.0 112.083 -178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 83.4 m -74.25 -23.8 59.19 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -56.03 -33.36 64.86 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.092 0.957 . . . . 0.0 112.542 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.9 m -66.11 -28.48 68.84 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 174.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.3 mt -86.93 -13.79 43.71 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.915 1.286 . . . . 0.0 113.829 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.25 19.67 45.06 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.948 1.261 . . . . 0.0 112.598 -172.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.0 mt -119.16 169.4 9.98 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.534 1.534 . . . . 0.0 111.661 -173.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.5 mt -97.17 143.04 28.37 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.908 0.883 . . . . 0.0 110.246 171.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.53 132.17 11.1 Favored Glycine 0 N--CA 1.47 0.95 0 CA-C-O 119.408 -0.662 . . . . 0.0 112.877 174.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -138.79 142.51 38.75 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 128.465 2.706 . . . . 0.0 111.719 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.8 m -94.49 130.26 40.95 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.876 -0.515 . . . . 0.0 112.341 171.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.3 mt -140.26 134.8 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 126.4 1.88 . . . . 0.0 108.244 177.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.31 24.23 65.29 Favored Glycine 0 CA--C 1.544 1.855 0 O-C-N 121.178 -0.951 . . . . 0.0 114.597 -170.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.255 40.1 mt-10 68.11 22.32 8.39 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.246 1.818 . . . . 0.0 115.017 -173.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -140.36 152.71 46.0 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.062 1.345 . . . . 0.0 112.075 172.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 40.2 t -73.23 142.66 47.29 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.866 1.666 . . . . 0.0 114.833 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -149.06 161.69 41.43 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 127.711 2.404 . . . . 0.0 110.321 166.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.3 m -94.55 151.39 19.37 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.8 m -136.06 153.84 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.899 1.68 . . . . 0.0 110.958 176.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -74.26 -34.6 63.65 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -172.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 C--O 1.248 1.001 0 C-N-CA 125.744 1.618 . . . . 0.0 112.209 176.498 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.5 t . . . . . 0 CA--C 1.536 0.427 0 CA-C-O 121.478 0.656 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -105.87 87.87 2.68 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.225 1.41 . . . . 0.0 109.347 -175.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -47.34 -48.68 25.39 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 126.87 2.068 . . . . 0.0 114.16 -175.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -65.29 -44.85 86.65 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.411 0.684 . . . . 0.0 111.799 -178.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -68.43 -35.69 77.99 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 121.607 -0.683 . . . . 0.0 111.486 176.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.01 -48.11 81.76 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.421 1.489 . . . . 0.0 111.556 172.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -55.6 -51.23 67.86 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.959 1.303 . . . . 0.0 111.997 174.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.62 -33.55 75.86 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.494 1.043 . . . . 0.0 112.546 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.0 m -68.8 -42.97 76.58 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.493 0.717 . . . . 0.0 111.93 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.4 m -71.18 -32.39 68.83 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.541 0.736 . . . . 0.0 112.606 174.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -59.25 -32.17 69.74 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.375 1.47 . . . . 0.0 112.555 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.9 m -60.69 -31.53 70.79 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.379 1.072 . . . . 0.0 112.843 171.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.8 mt -85.6 -18.1 34.29 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.079 1.351 . . . . 0.0 112.912 170.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.77 -8.17 57.91 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 127.072 2.272 . . . . 0.0 112.672 -173.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.7 mt -81.52 165.55 21.08 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.438 1.095 . . . . 0.0 111.69 -178.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 mp -91.43 159.15 16.11 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 168.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.59 139.75 15.68 Favored Glycine 0 N--CA 1.471 1.029 0 C-N-CA 124.441 1.02 . . . . 0.0 112.823 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -140.29 146.33 38.4 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 127.151 2.181 . . . . 0.0 111.85 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.8 m -91.8 109.83 21.16 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.303 0.641 . . . . 0.0 110.75 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.1 mm -121.92 107.51 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.989 1.316 . . . . 0.0 109.634 -174.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.44 42.32 93.85 Favored Glycine 0 CA--C 1.536 1.365 0 O-C-N 121.846 -0.534 . . . . 0.0 112.769 -174.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 61.36 23.27 13.54 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.517 1.927 . . . . 0.0 115.669 -176.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -134.39 137.92 44.44 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.883 1.673 . . . . 0.0 111.763 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.3 t -66.22 130.29 42.71 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.325 1.05 . . . . 0.0 112.13 176.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -135.28 144.89 47.03 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.609 1.564 . . . . 0.0 109.901 170.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.6 m -91.48 150.2 21.33 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.6 m -139.45 151.61 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.512 1.525 . . . . 0.0 111.451 -177.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -85.8 -25.76 26.14 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -173.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 . . . . . 0 C--O 1.25 1.115 0 C-N-CA 125.424 1.489 . . . . 0.0 114.3 -169.538 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.0 p . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -142.13 105.69 4.67 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 124.978 1.311 . . . . 0.0 110.076 168.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.96 -41.8 83.67 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.048 1.339 . . . . 0.0 110.927 -178.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -50.9 69.48 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.961 0.904 . . . . 0.0 112.398 173.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -69.2 -33.63 73.65 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 119.216 0.917 . . . . 0.0 112.866 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.8 t -65.95 -39.97 90.93 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.204 1.001 . . . . 0.0 112.132 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -59.74 -44.77 93.66 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 120.753 -1.217 . . . . 0.0 112.929 170.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.74 -41.25 97.4 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.97 0.804 . . . . 0.0 111.232 175.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.8 m -60.45 -49.12 78.82 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 122.717 0.407 . . . . 0.0 111.497 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.5 m -69.57 -25.92 64.23 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -57.29 -30.51 64.79 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.401 1.081 . . . . 0.0 112.188 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.4 p -63.2 -31.73 72.95 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 175.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.2 mt -90.35 -10.45 43.99 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.949 2.1 . . . . 0.0 111.852 173.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.26 17.0 70.23 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 125.209 1.385 . . . . 0.0 113.212 -175.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.6 mt -105.22 171.11 7.49 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.771 1.628 . . . . 0.0 113.479 -172.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.3 mt -106.08 128.34 53.81 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.494 1.518 . . . . 0.0 110.914 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.05 132.11 11.09 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-O 119.235 -0.758 . . . . 0.0 112.784 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -133.99 125.29 27.86 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.867 1.267 . . . . 0.0 112.085 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.2 t -89.07 140.83 29.05 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 176.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.7 mt -125.82 115.63 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 126.387 1.875 . . . . 0.0 108.098 167.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.76 -79.59 0.13 Allowed Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.153 1.359 . . . . 0.0 112.459 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -146.48 -3.26 0.64 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.866 2.067 . . . . 0.0 114.169 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -106.51 135.52 47.88 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.029 1.332 . . . . 0.0 109.916 175.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.9 t -127.16 134.27 50.2 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.386 0.674 . . . . 0.0 111.158 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -131.44 157.89 42.28 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.578 1.151 . . . . 0.0 112.442 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.0 m -85.68 146.65 26.74 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.029 0.932 . . . . 0.0 111.612 173.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.2 m -140.85 161.78 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 126.144 1.778 . . . . 0.0 110.74 172.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -77.91 -27.67 49.57 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 177.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 117.306 -1.33 . . . . 0.0 112.955 -170.525 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.7 p . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -138.6 106.38 5.64 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.796 2.038 . . . . 0.0 106.777 173.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.06 -43.84 70.58 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.818 1.247 . . . . 0.0 113.251 -168.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -63.08 -41.55 99.45 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.91 0.884 . . . . 0.0 112.024 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.87 -31.8 69.81 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 121.128 -0.982 . . . . 0.0 112.746 172.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.3 t -64.08 -49.05 73.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.963 0.905 . . . . 0.0 112.481 171.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.47 -49.12 68.11 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.0 0.92 . . . . 0.0 112.349 170.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.06 -33.43 74.37 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.067 0.848 . . . . 0.0 112.556 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.3 m -71.6 -37.35 70.97 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.83 0.452 . . . . 0.0 112.213 177.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 63.9 m -74.38 -29.15 61.42 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.053 0.941 . . . . 0.0 112.936 172.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -56.4 -40.14 74.17 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.956 1.702 . . . . 0.0 112.31 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.9 m -68.12 -27.41 66.43 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.5 mt -80.35 -18.97 47.54 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.777 1.231 . . . . 0.0 113.253 173.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.8 9.95 60.59 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 126.868 2.175 . . . . 0.0 113.275 -175.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.9 mt -107.99 163.83 12.8 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.99 1.716 . . . . 0.0 111.803 -171.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.1 mt -93.21 142.14 27.64 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.971 0.908 . . . . 0.0 110.511 173.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.72 146.22 16.04 Favored Glycine 0 CA--C 1.536 1.386 0 N-CA-C 115.594 0.997 . . . . 0.0 115.594 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.84 150.09 33.52 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.661 1.985 . . . . 0.0 109.844 168.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.5 t -85.92 140.54 30.27 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.816 -0.552 . . . . 0.0 109.785 168.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.8 mm -111.89 -41.53 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -175.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.42 77.34 0.16 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 126.391 1.948 . . . . 0.0 111.834 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 59.94 6.12 0.87 Allowed 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -172.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -140.46 145.68 37.26 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.066 1.746 . . . . 0.0 111.956 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.6 t -73.71 141.21 46.4 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.739 1.615 . . . . 0.0 113.102 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -132.48 135.02 45.74 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.839 1.655 . . . . 0.0 109.547 169.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.6 m -94.71 151.05 19.59 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.319 0.648 . . . . 0.0 112.119 170.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.2 m -138.39 155.23 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 126.224 1.81 . . . . 0.0 111.083 174.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -74.89 -40.1 61.12 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.08 1.752 . . . . 0.0 111.134 -172.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.1 t . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -137.03 121.55 18.35 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 127.495 2.318 . . . . 0.0 105.528 171.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -52.45 -52.14 55.61 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.642 1.577 . . . . 0.0 114.654 -167.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -67.48 -36.19 80.63 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -68.32 -33.57 74.56 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.681 1.128 . . . . 0.0 112.37 171.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.5 t -64.96 -44.95 87.73 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.946 0.898 . . . . 0.0 111.924 169.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -54.54 -46.37 73.59 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.103 -0.998 . . . . 0.0 112.863 172.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.1 mt -73.8 -19.32 60.8 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.9 m -78.16 -38.32 43.87 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.119 0.968 . . . . 0.0 112.11 171.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.3 m -75.01 -29.3 60.8 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.225 1.01 . . . . 0.0 112.741 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.0 tpp85 -57.81 -32.81 67.94 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.79 0.723 . . . . 0.0 112.111 173.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.7 m -57.34 -28.21 62.92 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.327 0.967 . . . . 0.0 113.043 171.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.3 mt -94.94 -9.19 34.83 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.215 1.806 . . . . 0.0 114.106 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.01 23.69 37.42 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.093 1.33 . . . . 0.0 112.677 -176.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.2 mt -123.39 167.96 13.15 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.318 1.847 . . . . 0.0 111.483 -169.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -104.93 142.1 35.36 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.052 1.341 . . . . 0.0 109.579 174.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.54 142.92 16.42 Favored Glycine 0 N--CA 1.47 0.925 0 C-N-CA 123.458 0.552 . . . . 0.0 114.388 -174.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.82 136.93 36.15 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.222 1.409 . . . . 0.0 109.732 169.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.8 m -82.1 125.25 30.63 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.725 0.41 . . . . 0.0 110.178 169.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 27.8 mm -128.74 104.0 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 125.166 1.386 . . . . 0.0 107.821 -177.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.41 38.48 93.51 Favored Glycine 0 CA--C 1.537 1.409 0 O-C-N 121.221 -0.924 . . . . 0.0 112.908 -175.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.258 43.4 mt-10 60.51 19.01 8.82 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 127.276 2.23 . . . . 0.0 116.013 -171.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -105.85 130.25 53.86 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.446 -1.408 . . . . 0.0 109.952 168.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.5 t -73.46 127.33 32.4 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 121.724 -0.61 . . . . 0.0 110.676 173.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -131.29 152.11 50.86 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.113 1.365 . . . . 0.0 111.141 173.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.6 m -122.84 127.31 48.88 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -169.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.4 m -111.55 150.15 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.296 1.439 . . . . 0.0 110.755 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -63.91 -38.5 91.31 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.231 -0.918 . . . . 0.0 112.699 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.287 0 C-N-CA 127.005 2.122 . . . . 0.0 111.685 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.3 m . . . . . 0 CA--C 1.55 0.975 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -129.6 68.78 1.42 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.996 1.718 . . . . 0.0 107.387 169.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -48.82 -47.38 42.43 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -168.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -68.33 -38.91 81.99 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -62.25 -40.23 95.48 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.607 1.094 . . . . 0.0 111.202 170.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.6 t -63.64 -45.73 88.88 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.061 0.944 . . . . 0.0 112.521 174.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.91 -41.3 82.39 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.662 1.185 . . . . 0.0 112.632 174.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.0 mt -69.28 -33.47 73.26 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.198 0.999 . . . . 0.0 112.343 174.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.3 t -67.81 -53.97 22.81 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.525 1.13 . . . . 0.0 111.61 176.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.4 m -61.23 -30.51 70.49 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.559 -0.713 . . . . 0.0 112.431 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -61.04 -32.64 72.26 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.083 0.953 . . . . 0.0 113.204 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.2 t -67.34 -34.32 77.09 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 171.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 mt -77.41 -14.69 59.65 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 125.029 1.332 . . . . 0.0 113.678 176.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.16 27.65 11.88 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 126.292 1.901 . . . . 0.0 113.184 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.7 mt -133.15 -177.33 4.47 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.057 2.143 . . . . 0.0 112.087 -170.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.9 mt -123.87 146.17 48.59 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.914 2.086 . . . . 0.0 111.042 174.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.52 138.45 14.18 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.898 0.761 . . . . 0.0 114.454 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.71 133.86 27.73 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.371 1.469 . . . . 0.0 112.225 170.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.9 t -73.06 126.91 31.08 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.156 0.982 . . . . 0.0 110.922 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.3 mt -145.72 107.03 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 127.104 2.161 . . . . 0.0 108.419 -176.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.57 38.09 44.73 Favored Glycine 0 CA--C 1.539 1.537 0 N-CA-C 115.578 0.991 . . . . 0.0 115.578 173.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 58.28 30.3 19.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.394 1.878 . . . . 0.0 113.548 -173.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -142.6 166.56 24.34 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 129.706 3.203 . . . . 0.0 107.539 170.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.8 t -122.16 136.21 54.88 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 120.853 -1.154 . . . . 0.0 112.745 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -114.27 148.57 37.25 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.59 1.556 . . . . 0.0 111.685 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 57.5 m -97.88 131.45 44.35 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.819 0.848 . . . . 0.0 111.598 171.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.5 m -141.12 167.64 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.728 1.611 . . . . 0.0 111.007 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -80.03 -31.77 39.57 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 175.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.828 1.651 . . . . 0.0 113.009 179.865 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.8 t . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -134.13 126.71 30.58 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.47 1.908 . . . . 0.0 108.008 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -53.49 -53.05 56.97 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 125.381 1.472 . . . . 0.0 114.041 -169.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -64.81 -41.17 96.0 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.551 0.614 . . . . 0.0 112.432 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.3 tpp180 -58.26 -40.22 81.28 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.239 1.016 . . . . 0.0 111.869 172.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.6 t -71.39 -42.3 68.54 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.578 1.151 . . . . 0.0 112.802 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.72 -41.48 90.96 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 120.891 -1.13 . . . . 0.0 112.471 173.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.8 mt -67.84 -34.92 77.67 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.682 0.793 . . . . 0.0 112.162 173.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.4 t -65.38 -48.87 71.41 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.348 1.059 . . . . 0.0 111.369 176.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.1 m -71.07 -30.11 66.15 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.564 0.746 . . . . 0.0 112.685 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -56.21 -38.19 70.69 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.382 0.992 . . . . 0.0 112.415 173.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.1 m -66.09 -16.56 64.04 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 173.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.8 mt -98.06 -13.5 21.0 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.485 1.514 . . . . 0.0 112.61 171.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.87 17.76 46.7 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.159 1.362 . . . . 0.0 113.636 -175.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 mt -120.06 168.52 11.09 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.481 1.913 . . . . 0.0 111.48 -173.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.2 mt -94.23 158.26 15.67 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.486 -0.759 . . . . 0.0 109.56 169.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.28 142.84 17.3 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-N 118.926 0.785 . . . . 0.0 114.561 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.77 148.04 38.31 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.964 1.305 . . . . 0.0 111.842 169.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.4 m -83.87 56.33 3.63 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.338 1.055 . . . . 0.0 112.621 176.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.4 mt -66.3 119.53 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.9 1.28 . . . . 0.0 109.747 -177.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.83 16.72 78.1 Favored Glycine 0 CA--C 1.541 1.699 0 O-C-N 121.546 -0.721 . . . . 0.0 114.637 -170.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 65.83 28.75 10.74 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.682 1.993 . . . . 0.0 113.621 -170.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -133.43 142.9 48.55 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 126.778 2.031 . . . . 0.0 109.349 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 52.3 t -73.52 121.51 20.72 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 121.162 -0.961 . . . . 0.0 111.825 -177.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -131.37 144.42 51.21 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.695 1.598 . . . . 0.0 109.732 168.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.1 m -92.5 150.51 20.72 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.258 0.551 . . . . 0.0 111.773 176.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.42 149.26 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.683 1.593 . . . . 0.0 110.642 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -84.83 -21.2 29.95 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -169.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.254 1.29 0 C-N-CA 126.215 1.806 . . . . 0.0 113.31 -175.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.9 t . . . . . 0 CA--C 1.545 0.77 0 CA-C-O 121.018 0.437 . . . . 0.0 111.331 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -129.42 105.09 7.87 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.341 1.857 . . . . 0.0 108.898 -177.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.38 -60.01 4.53 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.352 1.461 . . . . 0.0 114.571 -168.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -57.82 -42.28 83.98 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.708 0.803 . . . . 0.0 111.438 174.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -60.22 -44.74 94.91 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.995 0.816 . . . . 0.0 111.801 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.1 t -59.36 -49.76 76.59 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.729 1.212 . . . . 0.0 111.456 172.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -58.15 -44.05 87.68 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.84 -37.86 82.43 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.622 0.769 . . . . 0.0 112.144 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.8 t -65.85 -43.13 89.41 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.054 0.542 . . . . 0.0 112.177 175.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.2 m -65.89 -28.87 69.27 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.385 -0.822 . . . . 0.0 112.972 173.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -58.1 -35.39 71.36 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.092 0.86 . . . . 0.0 112.46 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.1 m -66.05 -29.34 69.67 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.128 0.971 . . . . 0.0 113.332 174.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.6 mt -79.52 -16.4 56.06 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.17 0.988 . . . . 0.0 112.549 174.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.51 19.19 35.88 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 125.507 1.527 . . . . 0.0 112.504 -174.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.7 mt -116.63 178.56 4.29 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.48 1.512 . . . . 0.0 112.516 -171.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.4 mt -98.23 166.53 11.36 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.521 1.928 . . . . 0.0 108.201 167.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.12 159.48 27.45 Favored Glycine 0 N--CA 1.47 0.936 0 CA-C-N 119.229 0.922 . . . . 0.0 114.139 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -163.33 147.42 10.83 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.378 -1.072 . . . . 0.0 112.171 -177.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.1 m -88.15 121.37 30.47 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 167.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.7 mt -88.5 55.87 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.53 1.132 . . . . 0.0 108.292 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.74 -69.65 0.57 Allowed Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.891 1.71 . . . . 0.0 113.717 -171.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -94.26 -26.39 16.64 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.624 1.57 . . . . 0.0 114.325 -172.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -145.25 145.61 31.35 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -171.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.9 t -68.65 147.98 51.11 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.709 1.604 . . . . 0.0 111.999 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -148.82 138.83 22.2 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.149 1.38 . . . . 0.0 110.038 168.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.6 m -91.77 145.59 24.45 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 122.579 0.352 . . . . 0.0 111.48 174.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.4 m -140.18 158.05 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.91 1.284 . . . . 0.0 111.306 -175.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -87.41 -36.55 17.68 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -172.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.1 m120 . . . . . 0 N--CA 1.481 1.093 0 C-N-CA 124.992 1.317 . . . . 0.0 113.952 -168.949 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.1 t . . . . . 0 CA--C 1.543 0.687 0 CA-C-O 121.008 0.432 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -132.18 112.58 12.4 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.79 1.636 . . . . 0.0 108.383 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -52.36 -48.61 65.45 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.34 1.856 . . . . 0.0 114.301 -174.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -63.94 -45.38 89.46 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.494 0.718 . . . . 0.0 111.907 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -58.35 -39.53 79.79 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.732 0.813 . . . . 0.0 111.082 176.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.76 -49.73 60.91 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.966 1.307 . . . . 0.0 113.035 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -54.36 -39.26 66.98 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.267 1.027 . . . . 0.0 112.36 174.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.8 mt -68.76 -44.6 73.37 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.584 0.753 . . . . 0.0 111.74 174.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.3 t -60.6 -43.71 97.11 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.951 0.796 . . . . 0.0 112.344 178.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.3 m -68.44 -25.89 65.23 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.796 0.839 . . . . 0.0 113.132 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -62.4 -31.74 72.47 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.123 -0.986 . . . . 0.0 113.144 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.4 m -70.63 -18.0 62.87 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 172.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.0 mt -90.05 -11.05 42.59 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.049 1.34 . . . . 0.0 112.418 170.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.55 21.55 56.02 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.162 1.363 . . . . 0.0 112.423 -174.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.8 mt -116.38 172.13 7.39 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.002 1.721 . . . . 0.0 112.337 -172.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.0 mt -102.34 153.9 19.57 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.613 1.565 . . . . 0.0 109.882 169.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.34 141.97 16.46 Favored Glycine 0 CA--C 1.535 1.294 0 N-CA-C 114.876 0.71 . . . . 0.0 114.876 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -135.27 144.73 46.97 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 127.057 2.143 . . . . 0.0 110.785 168.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.0 m -88.57 116.83 27.09 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.81 -0.556 . . . . 0.0 111.073 171.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.6 mt -140.33 127.79 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.482 1.113 . . . . 0.0 109.256 -172.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.29 40.32 91.66 Favored Glycine 0 CA--C 1.534 1.233 0 O-C-N 121.333 -0.855 . . . . 0.0 112.299 -177.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 60.36 15.28 5.32 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.283 1.833 . . . . 0.0 115.02 -176.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -125.03 145.71 49.77 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.384 1.474 . . . . 0.0 111.029 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.9 t -69.94 126.91 31.09 Favored 'General case' 0 C--O 1.237 0.443 0 O-C-N 121.236 -0.915 . . . . 0.0 110.241 169.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -129.56 135.54 48.71 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.963 1.305 . . . . 0.0 110.353 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.8 m -100.4 144.19 29.7 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.611 0.764 . . . . 0.0 111.738 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.4 m -140.43 156.51 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 125.995 1.718 . . . . 0.0 110.339 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -70.22 -40.02 74.77 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.281 -0.887 . . . . 0.0 111.043 169.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 . . . . . 0 C--O 1.254 1.292 0 C-N-CA 129.713 3.205 . . . . 0.0 109.017 177.919 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.3 p . . . . . 0 CA--C 1.542 0.671 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -137.49 76.56 1.59 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.308 1.043 . . . . 0.0 108.592 -177.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.81 -49.9 14.65 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.258 1.823 . . . . 0.0 113.63 -168.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -69.03 -41.32 77.84 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 178.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -65.35 -34.09 77.51 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 120.373 1.442 . . . . 0.0 111.867 173.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.0 m -70.25 -38.18 75.08 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.879 2.472 . . . . 0.0 113.577 176.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -56.5 -34.26 66.8 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 120.908 -1.12 . . . . 0.0 112.373 171.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.6 mt -71.64 -29.03 64.18 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.795 0.838 . . . . 0.0 113.118 172.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.6 m -65.79 -42.98 90.06 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.08 0.855 . . . . 0.0 110.802 171.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.6 m -72.57 -35.04 67.86 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.16 0.584 . . . . 0.0 112.42 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -55.96 -30.72 62.16 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.976 1.31 . . . . 0.0 112.854 174.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.6 m -58.38 -37.58 75.57 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.289 1.036 . . . . 0.0 112.171 175.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.6 mt -90.93 -18.33 24.9 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.946 1.699 . . . . 0.0 113.234 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.56 22.45 24.02 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 125.167 1.365 . . . . 0.0 113.182 -173.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.7 mt -108.98 173.68 6.21 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.414 1.885 . . . . 0.0 111.707 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.3 mt -110.2 146.48 35.49 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.775 1.63 . . . . 0.0 110.317 172.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.62 136.84 12.91 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 123.85 0.738 . . . . 0.0 113.99 177.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -133.59 143.7 48.83 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.071 1.748 . . . . 0.0 110.51 169.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.5 t -87.04 134.26 33.51 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.442 1.019 . . . . 0.0 113.178 176.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.6 mt -141.63 120.87 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 125.963 1.705 . . . . 0.0 109.908 174.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.45 40.68 97.98 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.141 -0.975 . . . . 0.0 115.122 169.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 69.06 28.15 5.14 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.597 1.559 . . . . 0.0 115.081 -176.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -147.32 147.13 30.03 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.482 1.913 . . . . 0.0 110.701 174.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.7 m -89.82 132.76 35.08 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 120.899 -1.125 . . . . 0.0 112.885 172.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -109.77 138.11 46.61 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.391 1.876 . . . . 0.0 110.884 172.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.9 m -95.68 140.76 30.04 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.23 0.612 . . . . 0.0 112.384 173.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.9 m -143.19 159.81 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.308 1.443 . . . . 0.0 112.257 -178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -78.95 -40.57 31.55 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 121.289 -0.882 . . . . 0.0 111.887 169.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.0 m120 . . . . . 0 C--O 1.254 1.311 0 C-N-CA 128.717 2.807 . . . . 0.0 110.27 -175.669 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 CA--C 1.549 0.933 0 CA-C-O 120.691 0.281 . . . . 0.0 111.524 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -126.55 92.6 3.59 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.342 -1.474 . . . . 0.0 109.432 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.08 -42.89 86.57 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.313 -0.867 . . . . 0.0 112.289 -170.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -55.31 -41.65 72.67 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.667 0.787 . . . . 0.0 112.61 177.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -75.71 -39.46 57.35 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.222 1.409 . . . . 0.0 112.484 175.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.7 t -56.26 -40.03 73.54 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.775 0.83 . . . . 0.0 112.001 175.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -56.8 -49.9 73.94 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 170.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.68 -39.56 94.62 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.038 0.935 . . . . 0.0 111.058 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.0 t -66.43 -43.61 85.18 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.395 1.078 . . . . 0.0 112.302 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 93.9 m -70.38 -26.95 63.95 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 173.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -67.6 -24.78 65.52 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.775 -1.203 . . . . 0.0 112.931 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 m -64.2 -36.95 85.74 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.934 0.788 . . . . 0.0 111.494 168.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.6 mt -75.05 -11.12 60.03 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.11 1.364 . . . . 0.0 112.964 169.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.77 19.82 49.89 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 126.96 2.219 . . . . 0.0 113.467 177.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.3 mt -119.13 169.13 10.2 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.008 1.723 . . . . 0.0 113.158 -168.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 mp -82.66 148.09 28.14 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 168.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.99 137.87 13.84 Favored Glycine 0 N--CA 1.472 1.081 0 CA-C-N 118.816 0.735 . . . . 0.0 112.685 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.12 151.33 40.6 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.05 1.74 . . . . 0.0 111.534 176.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.9 t -85.9 128.01 34.73 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 122.668 0.387 . . . . 0.0 110.833 172.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.4 mt -127.89 108.75 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 124.376 1.07 . . . . 0.0 109.102 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.11 -92.87 0.57 Allowed Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 -170.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -138.88 17.51 2.66 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.728 1.611 . . . . 0.0 114.034 -171.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -147.5 159.94 43.17 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.028 1.331 . . . . 0.0 112.151 -176.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 43.3 t -80.45 137.27 36.46 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 121.542 0.687 . . . . 0.0 111.497 173.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -138.63 152.21 47.91 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.705 2.002 . . . . 0.0 110.507 173.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.5 m -115.41 140.19 49.36 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.601 0.76 . . . . 0.0 112.622 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.43 159.08 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.721 1.608 . . . . 0.0 111.974 -173.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -88.05 -21.77 24.57 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -178.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 t30 . . . . . 0 C--O 1.259 1.57 0 C-N-CA 128.581 2.753 . . . . 0.0 111.374 172.156 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 CA--C 1.545 0.778 0 CA-C-O 120.704 0.287 . . . . 0.0 111.771 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -137.97 104.27 5.21 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 169.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.45 -48.91 77.9 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -168.144 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -65.61 -39.92 92.05 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 121.665 -0.647 . . . . 0.0 111.8 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -62.94 -41.4 99.48 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.084 0.953 . . . . 0.0 112.224 170.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.37 -41.98 99.05 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.197 0.999 . . . . 0.0 111.824 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -60.31 -45.06 94.72 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.372 -0.83 . . . . 0.0 112.447 172.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.9 mt -67.04 -38.21 85.47 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.401 1.001 . . . . 0.0 112.797 177.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.5 t -67.76 -48.74 65.53 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.553 1.541 . . . . 0.0 111.664 178.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.0 m -67.69 -28.75 67.95 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.16 -0.962 . . . . 0.0 112.564 174.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -59.13 -34.9 72.58 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.863 1.21 . . . . 0.0 112.061 174.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.7 m -69.93 -15.92 63.13 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 172.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.7 mt -94.31 -12.57 27.77 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.127 1.371 . . . . 0.0 112.532 169.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.88 18.61 50.45 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.621 1.581 . . . . 0.0 113.46 -175.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.4 mt -116.15 171.91 7.51 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.651 1.58 . . . . 0.0 113.39 -170.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.0 mt -99.55 124.09 44.42 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.031 1.333 . . . . 0.0 109.866 174.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.97 144.3 19.35 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-N 118.523 0.601 . . . . 0.0 113.725 177.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.89 150.2 34.76 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.519 1.928 . . . . 0.0 111.471 173.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.8 t -81.49 118.99 23.18 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.03 0.832 . . . . 0.0 109.104 166.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.3 mt -142.91 131.38 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.496 1.518 . . . . 0.0 108.789 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.22 39.75 96.38 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 123.855 0.741 . . . . 0.0 113.298 -178.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 57.42 16.93 3.48 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 -171.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -130.26 161.35 31.42 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.318 1.847 . . . . 0.0 111.902 -177.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.2 t -71.73 132.89 45.16 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.783 -1.198 . . . . 0.0 109.214 167.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -128.22 128.79 45.37 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.836 1.254 . . . . 0.0 109.711 170.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.9 m -89.23 143.54 26.76 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 123.584 0.552 . . . . 0.0 110.15 169.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.8 m -134.09 154.83 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 124.984 1.313 . . . . 0.0 110.58 174.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -75.5 -41.69 54.74 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 122.981 0.512 . . . . 0.0 111.796 175.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.255 1.342 0 C-N-CA 129.821 3.248 . . . . 0.0 110.77 173.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.9 p . . . . . 0 CA--C 1.538 0.5 0 CA-C-O 121.199 0.523 . . . . 0.0 111.69 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -126.37 88.03 2.77 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.012 1.325 . . . . 0.0 108.392 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -42.84 68.59 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.314 1.046 . . . . 0.0 111.758 -178.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.413 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -61.9 -49.93 74.23 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.33 0.652 . . . . 0.0 111.979 176.542 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -64.45 -36.9 85.67 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.185 0.448 . . . . 0.0 111.312 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.8 t -62.59 -47.71 82.62 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.243 1.417 . . . . 0.0 111.676 175.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -55.1 -49.29 72.09 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.171 -0.956 . . . . 0.0 112.177 172.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.12 -28.83 64.58 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.324 0.649 . . . . 0.0 112.418 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.1 m -68.78 -43.07 76.47 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.148 0.979 . . . . 0.0 111.248 172.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.6 m -67.74 -31.44 71.36 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.444 -0.785 . . . . 0.0 112.228 172.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -60.24 -31.89 70.62 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.642 1.177 . . . . 0.0 113.249 176.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.9 t -66.14 -34.57 78.35 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.182 0.993 . . . . 0.0 112.761 171.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.8 mt -76.33 -26.35 55.67 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.109 0.964 . . . . 0.0 112.041 170.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.85 22.92 26.87 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 125.654 1.597 . . . . 0.0 112.809 -173.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.1 mt -110.58 169.28 8.86 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.938 2.095 . . . . 0.0 110.538 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.6 mt -93.19 152.94 18.91 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 118.419 -0.8 . . . . 0.0 109.698 168.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.54 142.37 16.83 Favored Glycine 0 N--CA 1.474 1.172 0 CA-C-N 119.079 0.854 . . . . 0.0 114.594 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -138.45 144.13 39.98 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 128.231 2.612 . . . . 0.0 111.085 -178.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.5 t -89.77 130.73 35.99 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.354 0.525 . . . . 0.0 109.788 167.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.8 mt -139.82 116.97 10.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 125.068 1.347 . . . . 0.0 107.992 176.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.64 56.23 25.74 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 124.278 0.942 . . . . 0.0 113.451 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 56.91 22.03 6.75 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.186 2.194 . . . . 0.0 114.471 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -143.78 141.83 30.61 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.735 -1.228 . . . . 0.0 113.244 -173.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 46.3 t -74.61 135.88 42.02 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.428 1.091 . . . . 0.0 113.056 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -136.94 138.87 41.08 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.535 1.534 . . . . 0.0 110.752 169.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.8 m -94.9 156.6 16.27 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.439 0.695 . . . . 0.0 112.808 174.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.9 m -136.33 143.94 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.675 1.59 . . . . 0.0 111.061 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -79.49 23.53 0.4 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.577 1.951 . . . . 0.0 116.213 -169.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.0 m120 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 125.014 1.326 . . . . 0.0 113.862 -174.122 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.5 t . . . . . 0 CA--C 1.536 0.411 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -145.64 75.13 1.41 Allowed 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 169.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.65 -45.61 91.5 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.53 1.132 . . . . 0.0 113.194 -167.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -62.51 -42.9 99.82 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.327 -0.858 . . . . 0.0 112.603 173.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -62.11 -38.13 87.73 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.035 0.834 . . . . 0.0 111.205 174.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.8 t -63.42 -49.42 73.82 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.283 1.433 . . . . 0.0 111.045 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -58.53 -45.44 88.85 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 120.295 -1.503 . . . . 0.0 113.287 173.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.43 -19.76 65.42 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.928 0.891 . . . . 0.0 112.515 177.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.3 m -78.3 -48.41 15.71 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.156 0.982 . . . . 0.0 110.941 168.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.6 m -67.14 -25.61 66.26 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.04 0.936 . . . . 0.0 113.429 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -61.94 -28.85 69.83 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.335 1.054 . . . . 0.0 112.816 174.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.3 t -64.6 -43.89 92.37 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.065 0.946 . . . . 0.0 111.282 169.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.3 mt -70.19 -20.86 63.09 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.384 1.074 . . . . 0.0 112.827 178.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.14 20.6 27.46 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.299 1.428 . . . . 0.0 113.329 -176.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.0 mt -120.38 -172.64 2.4 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.545 1.938 . . . . 0.0 112.087 -171.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.1 mt -111.35 166.39 11.15 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.664 2.386 . . . . 0.0 108.55 168.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -132.44 146.41 18.15 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 124.33 0.967 . . . . 0.0 113.903 -176.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -143.6 149.2 37.01 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 128.933 2.893 . . . . 0.0 112.03 -173.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.9 m -98.54 110.1 22.75 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.256 1.022 . . . . 0.0 110.77 168.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.3 mt -118.87 116.86 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.023 0.929 . . . . 0.0 109.619 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.69 72.88 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 123.785 0.707 . . . . 0.0 114.098 -174.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 72.05 10.66 6.08 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 128.154 2.582 . . . . 0.0 115.603 -170.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -121.8 136.78 54.94 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.786 1.176 . . . . 0.0 113.039 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.4 t -61.28 134.99 57.56 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 177.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -145.12 136.36 25.0 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.107 1.763 . . . . 0.0 111.318 174.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.3 m -93.86 140.1 30.08 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.6 m -136.51 157.47 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 126.198 1.799 . . . . 0.0 111.107 -174.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -77.97 -36.06 49.51 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.601 -0.687 . . . . 0.0 111.328 171.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.18 0 C-N-CA 125.917 1.687 . . . . 0.0 113.475 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.542 0.662 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -144.45 111.79 6.01 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 125.81 1.644 . . . . 0.0 107.814 165.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.81 -43.22 76.7 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.504 0.722 . . . . 0.0 111.2 -175.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -65.07 -41.86 94.7 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -60.66 -36.01 77.64 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.94 1.245 . . . . 0.0 111.357 172.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.2 t -68.37 -43.95 76.23 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.081 0.952 . . . . 0.0 112.922 177.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -57.78 -43.5 85.62 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 120.887 -1.133 . . . . 0.0 112.5 173.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.8 mt -70.88 -27.38 63.77 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.314 1.046 . . . . 0.0 113.001 176.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.1 t -69.95 -52.28 25.77 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.853 0.861 . . . . 0.0 110.494 172.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.3 m -64.21 -27.23 68.92 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -62.01 -23.41 66.42 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.141 -0.974 . . . . 0.0 113.28 174.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.7 t -62.94 -34.82 78.27 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.546 1.139 . . . . 0.0 113.07 171.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.1 mt -81.21 -32.21 33.57 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.401 1.08 . . . . 0.0 111.197 169.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.3 20.37 7.89 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 126.339 1.923 . . . . 0.0 113.669 -176.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.8 mt -115.09 172.48 7.04 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.036 1.734 . . . . 0.0 112.796 -171.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.4 mt -87.87 156.92 19.14 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.215 1.006 . . . . 0.0 109.428 168.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.26 149.11 17.35 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.135 0.874 . . . . 0.0 113.29 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.78 152.64 39.87 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.676 1.99 . . . . 0.0 110.509 171.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.2 t -86.07 114.49 22.98 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 122.557 0.343 . . . . 0.0 110.741 168.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 60.9 mt -135.42 113.6 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.961 1.304 . . . . 0.0 109.891 -176.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.55 29.31 55.76 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.086 0.851 . . . . 0.0 113.396 -174.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.264 6.7 mt-10 55.27 39.23 31.27 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.85 1.66 . . . . 0.0 112.679 -169.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -139.68 144.89 37.8 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 127.614 2.366 . . . . 0.0 111.072 173.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.3 t -71.24 132.61 45.2 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.784 -0.573 . . . . 0.0 110.133 167.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -135.58 150.26 49.64 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.38 1.472 . . . . 0.0 111.499 170.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.4 m -107.55 145.53 33.07 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.7 m -138.7 154.96 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.734 1.214 . . . . 0.0 113.709 -169.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -102.33 -22.19 14.16 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.447 1.499 . . . . 0.0 113.031 177.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 m120 . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.322 1.449 . . . . 0.0 112.709 -174.127 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 40.5 t . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -130.18 106.89 8.9 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.226 1.41 . . . . 0.0 108.392 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.69 -43.31 85.01 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.129 1.372 . . . . 0.0 113.066 -168.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -62.41 -42.69 99.63 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.748 0.819 . . . . 0.0 112.072 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -72.2 -39.4 68.62 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.73 0.812 . . . . 0.0 111.577 176.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.9 t -56.58 -46.27 80.88 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.88 0.872 . . . . 0.0 111.7 172.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -56.58 -46.28 80.88 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.694 0.797 . . . . 0.0 112.768 172.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.33 -40.13 95.29 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.686 1.13 . . . . 0.0 112.097 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.8 m -67.42 -40.86 85.54 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 175.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.6 m -69.28 -35.0 75.59 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.859 0.754 . . . . 0.0 112.086 174.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -56.58 -36.9 69.89 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.24 0.927 . . . . 0.0 112.45 178.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.1 t -66.59 -30.48 70.78 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.977 0.911 . . . . 0.0 113.039 174.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.1 mt -78.84 -10.17 59.7 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.603 1.161 . . . . 0.0 113.352 172.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.35 14.27 57.46 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.932 1.73 . . . . 0.0 113.299 -174.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.9 mt -116.9 170.5 8.57 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.863 1.665 . . . . 0.0 112.751 -168.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.7 mt -102.64 145.15 30.09 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.271 1.029 . . . . 0.0 110.541 168.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.16 147.09 17.64 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 114.375 0.51 . . . . 0.0 114.375 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -143.82 144.85 31.96 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.705 2.002 . . . . 0.0 109.112 167.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.1 m -84.25 126.54 33.25 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.671 -0.643 . . . . 0.0 109.677 169.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 36.1 mm -136.56 125.01 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 126.376 1.87 . . . . 0.0 108.516 -175.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.4 44.7 58.8 Favored Glycine 0 CA--C 1.542 1.731 0 O-C-N 121.177 -0.952 . . . . 0.0 113.464 -176.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 56.57 21.85 6.1 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.184 2.194 . . . . 0.0 116.589 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -138.53 146.62 42.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.934 1.293 . . . . 0.0 112.509 174.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.7 t -63.36 136.58 57.74 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.218 -0.926 . . . . 0.0 113.06 177.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -137.28 132.79 34.22 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.936 2.094 . . . . 0.0 108.854 172.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.1 m -97.01 105.96 18.21 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.377 0.671 . . . . 0.0 111.394 -178.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.5 m -145.19 140.05 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.592 1.557 . . . . 0.0 111.815 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -70.95 -25.58 62.8 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.073 0.549 . . . . 0.0 111.973 174.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 . . . . . 0 C--O 1.248 1.005 0 C-N-CA 127.29 2.236 . . . . 0.0 114.198 177.733 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.3 p . . . . . 0 CA--C 1.545 0.758 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -144.94 99.8 3.39 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.696 1.998 . . . . 0.0 109.088 -178.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.02 -41.89 65.14 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.374 1.47 . . . . 0.0 112.863 -174.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -59.07 -43.93 91.81 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.175 0.99 . . . . 0.0 112.05 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -71.73 -39.52 70.03 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.583 1.153 . . . . 0.0 111.642 178.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.8 t -60.24 -44.2 95.44 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.937 0.895 . . . . 0.0 112.037 174.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -57.57 -44.33 85.21 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.79 0.836 . . . . 0.0 112.487 172.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.03 -29.32 68.28 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 176.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -68.56 -42.53 78.23 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.834 0.854 . . . . 0.0 111.969 172.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.6 m -74.24 -25.23 59.52 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.637 1.175 . . . . 0.0 113.35 177.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -38.45 64.5 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.777 1.231 . . . . 0.0 112.68 176.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.2 m -61.18 -33.57 73.67 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.604 1.162 . . . . 0.0 113.374 176.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.6 mt -81.51 -23.26 37.42 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.577 1.551 . . . . 0.0 112.161 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.03 22.66 24.75 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.925 1.25 . . . . 0.0 113.234 -171.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 58.8 mt -118.23 171.34 8.19 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.49 1.516 . . . . 0.0 112.198 -171.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -99.05 141.49 31.74 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.262 1.025 . . . . 0.0 109.708 170.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.52 147.12 18.53 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.806 0.717 . . . . 0.0 113.715 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.92 144.12 30.92 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.467 1.907 . . . . 0.0 109.337 168.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -79.39 126.74 31.21 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.524 -0.735 . . . . 0.0 109.233 167.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.9 mm -131.61 100.06 4.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 126.241 1.817 . . . . 0.0 108.023 -175.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.13 64.91 3.2 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.065 0.84 . . . . 0.0 113.012 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 63.37 3.82 1.52 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 127.469 2.308 . . . . 0.0 116.199 -177.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -149.15 141.74 24.41 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.826 1.194 . . . . 0.0 113.401 -169.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.9 t -59.62 144.62 47.22 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -178.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -141.97 145.74 34.82 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.69 2.396 . . . . 0.0 109.272 169.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.0 m -102.35 155.39 18.27 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.762 0.825 . . . . 0.0 112.596 174.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.5 m -144.39 155.85 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.114 1.766 . . . . 0.0 111.931 175.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -72.63 -20.28 61.3 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 . . . . . 0 N--CA 1.48 1.028 0 C-N-CA 125.996 1.718 . . . . 0.0 113.303 -170.468 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.7 p . . . . . 0 CA--C 1.544 0.735 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -140.51 109.55 6.1 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.802 1.241 . . . . 0.0 109.985 175.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.86 -39.81 78.65 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.715 1.206 . . . . 0.0 113.992 -168.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -61.86 -48.53 80.14 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.045 1.293 . . . . 0.0 112.342 175.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -62.94 -35.57 80.55 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.324 0.649 . . . . 0.0 111.408 175.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.6 t -63.34 -51.41 66.07 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.735 0.814 . . . . 0.0 112.456 171.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -58.25 -39.01 78.03 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.658 1.183 . . . . 0.0 112.854 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.94 -40.82 83.21 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.36 1.064 . . . . 0.0 111.962 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.5 m -65.81 -31.44 72.4 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.202 -0.936 . . . . 0.0 112.517 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.5 m -79.65 -30.14 41.17 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.032 0.933 . . . . 0.0 112.764 168.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -60.04 -35.51 75.27 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.604 1.093 . . . . 0.0 111.631 175.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 61.1 m -60.28 -27.77 67.54 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 169.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.8 mt -89.7 -17.5 28.2 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.081 1.353 . . . . 0.0 112.376 176.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.65 23.9 19.73 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.941 1.734 . . . . 0.0 113.407 -175.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.3 mt -126.4 164.6 20.74 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.185 1.794 . . . . 0.0 112.618 -170.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 mp -90.38 146.64 24.01 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.056 0.543 . . . . 0.0 109.787 169.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.47 149.34 18.91 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 123.469 0.557 . . . . 0.0 114.381 177.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.45 132.29 20.11 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.188 1.795 . . . . 0.0 109.846 169.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.6 t -78.66 114.97 18.05 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.75 0.705 . . . . 0.0 110.879 169.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.3 mt -136.18 115.89 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 125.788 1.635 . . . . 0.0 108.282 -175.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.23 35.79 63.85 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 119.523 -0.598 . . . . 0.0 113.042 -175.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 64.68 2.96 1.81 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 127.053 2.141 . . . . 0.0 116.375 -173.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -119.8 155.59 32.27 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.169 1.388 . . . . 0.0 111.572 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.0 t -81.04 110.67 16.79 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.98 0.912 . . . . 0.0 112.18 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -95.51 151.5 19.25 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.153 0.981 . . . . 0.0 109.699 167.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.0 m -116.36 145.75 42.98 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.129 0.572 . . . . 0.0 112.173 173.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.0 m -129.88 150.78 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.653 1.581 . . . . 0.0 111.708 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -71.32 -34.62 70.73 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -176.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.7 m120 . . . . . 0 C--O 1.249 1.058 0 C-N-CA 128.187 2.595 . . . . 0.0 110.301 175.213 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 40.9 t . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -119.73 97.29 5.56 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.664 1.585 . . . . 0.0 108.955 -177.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -58.5 -47.5 83.9 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.042 1.737 . . . . 0.0 113.887 -167.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -66.81 -38.0 85.64 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.545 0.738 . . . . 0.0 111.502 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -70.01 -43.71 70.8 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.872 1.669 . . . . 0.0 112.612 177.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.8 t -59.4 -39.5 83.62 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.103 1.361 . . . . 0.0 112.211 176.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -59.04 -37.84 77.93 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 173.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.8 mt -64.3 -45.26 88.74 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.718 1.145 . . . . 0.0 111.256 173.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.2 m -63.42 -33.24 75.12 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.123 0.969 . . . . 0.0 112.891 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.1 m -79.68 -34.93 39.87 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -59.86 -33.98 72.52 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 120.045 1.293 . . . . 0.0 112.069 174.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.0 m -61.58 -21.64 64.49 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.199 1.4 . . . . 0.0 114.533 170.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.4 mt -98.05 -26.19 14.69 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.53 1.132 . . . . 0.0 112.321 173.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.02 14.36 13.75 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 125.998 1.761 . . . . 0.0 114.684 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.1 mt -116.85 169.41 9.41 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.649 1.58 . . . . 0.0 112.589 -169.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.5 mt -95.96 129.38 43.24 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.979 1.312 . . . . 0.0 110.723 173.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.95 133.3 11.65 Favored Glycine 0 N--CA 1.471 1.002 0 CA-C-N 118.348 0.522 . . . . 0.0 113.595 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.28 142.91 49.56 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.333 1.053 . . . . 0.0 110.778 169.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.7 m -77.51 109.44 11.46 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 121.804 0.811 . . . . 0.0 110.391 167.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.6 mt -128.45 123.71 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.502 1.521 . . . . 0.0 108.193 -174.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.52 34.05 88.29 Favored Glycine 0 CA--C 1.539 1.544 0 O-C-N 121.754 -0.591 . . . . 0.0 114.199 -174.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 61.56 26.31 16.05 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.308 1.443 . . . . 0.0 113.927 -172.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -138.65 147.36 42.77 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.194 1.398 . . . . 0.0 112.105 -177.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.7 t -74.33 122.74 23.39 Favored 'General case' 0 C--O 1.242 0.71 0 O-C-N 121.61 -0.681 . . . . 0.0 111.167 175.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -134.46 135.34 42.42 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.767 1.227 . . . . 0.0 110.254 176.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.9 m -93.34 143.56 26.15 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 121.678 0.751 . . . . 0.0 112.504 177.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.8 m -148.28 177.57 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 126.581 1.952 . . . . 0.0 111.009 -174.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -100.06 -14.72 18.49 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -177.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 N--CA 1.482 1.169 0 C-N-CA 127.205 2.202 . . . . 0.0 112.408 179.441 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.582 0 CA-C-O 118.68 -0.676 . . . . 0.0 111.457 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -147.43 138.32 23.55 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.899 1.28 . . . . 0.0 111.567 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.15 163.77 7.71 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.462 1.505 . . . . 0.0 113.774 -178.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -89.52 84.47 6.38 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.147 1.779 . . . . 0.0 107.77 -176.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.4 tp -57.86 -47.19 83.44 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.329 1.052 . . . . 0.0 113.588 -169.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -56.38 -46.88 79.89 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.4 0.68 . . . . 0.0 112.204 175.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -65.32 -38.76 91.16 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.422 1.01 . . . . 0.0 112.444 174.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.9 t -66.11 -44.05 85.46 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.48 1.512 . . . . 0.0 112.559 177.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -60.67 -41.42 95.05 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.281 1.432 . . . . 0.0 111.852 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.88 -34.77 75.98 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.189 0.996 . . . . 0.0 112.496 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -62.43 -47.53 83.69 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.607 0.763 . . . . 0.0 111.471 173.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.4 m -71.91 -30.69 65.62 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.185 -0.947 . . . . 0.0 113.237 176.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -54.34 -41.1 68.67 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.204 1.002 . . . . 0.0 111.458 173.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.4 m -60.73 -28.08 68.41 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 176.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 mt -92.93 -9.36 40.35 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.32 1.448 . . . . 0.0 113.928 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.87 23.64 55.08 Favored Glycine 0 N--CA 1.469 0.88 0 C-N-CA 126.127 1.823 . . . . 0.0 112.682 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.1 mt -111.48 170.09 8.36 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.34 1.856 . . . . 0.0 110.319 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.3 mt -99.36 135.73 40.35 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 118.759 -0.639 . . . . 0.0 110.507 170.05 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.65 140.87 15.26 Favored Glycine 0 N--CA 1.47 0.923 0 C-N-CA 123.585 0.612 . . . . 0.0 114.074 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.19 143.98 34.52 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.466 1.507 . . . . 0.0 111.242 177.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.9 t -84.18 120.27 25.99 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 123.991 0.916 . . . . 0.0 111.595 172.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.8 mm -133.0 99.82 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.93 1.692 . . . . 0.0 109.501 -174.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.99 53.32 46.14 Favored Glycine 0 CA--C 1.537 1.454 0 O-C-N 121.006 -1.059 . . . . 0.0 114.413 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 62.55 14.74 7.31 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.398 1.879 . . . . 0.0 115.272 -174.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -128.34 136.79 51.44 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.291 1.837 . . . . 0.0 110.792 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 40.2 t -80.73 132.19 35.52 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.52 -0.738 . . . . 0.0 110.929 174.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -137.57 150.15 47.25 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.696 1.198 . . . . 0.0 110.967 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.5 m -113.97 152.41 30.91 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.185 0.994 . . . . 0.0 112.621 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.5 m -135.23 149.32 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 125.14 1.376 . . . . 0.0 112.09 173.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -63.03 -59.33 4.96 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -174.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.256 1.417 0 C-N-CA 128.369 2.668 . . . . 0.0 115.345 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -135.12 137.8 43.15 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.636 1.574 . . . . 0.0 110.694 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 t -81.63 151.1 27.78 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.98 1.312 . . . . 0.0 111.523 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -130.67 71.6 1.47 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.611 1.164 . . . . 0.0 110.285 169.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.9 tp -59.87 -38.0 80.93 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.721 -1.237 . . . . 0.0 113.214 -171.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -60.63 -36.22 78.12 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 118.613 -0.708 . . . . 0.0 112.907 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -72.89 -46.33 53.32 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.781 1.232 . . . . 0.0 110.948 168.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 52.9 t -55.11 -46.01 75.53 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.576 1.55 . . . . 0.0 113.006 -177.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.37 -40.71 87.38 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.463 1.105 . . . . 0.0 112.94 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.0 mt -70.45 -36.54 73.99 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.815 0.846 . . . . 0.0 112.106 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.2 t -62.81 -46.88 85.9 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.482 0.713 . . . . 0.0 112.083 -178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 83.4 m -74.25 -23.8 59.19 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -56.03 -33.36 64.86 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.092 0.957 . . . . 0.0 112.542 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.9 m -66.11 -28.48 68.84 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 174.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.3 mt -86.93 -13.79 43.71 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.915 1.286 . . . . 0.0 113.829 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.25 19.67 45.06 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.948 1.261 . . . . 0.0 112.598 -172.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.0 mt -119.16 169.4 9.98 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.534 1.534 . . . . 0.0 111.661 -173.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.5 mt -97.17 143.04 28.37 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.908 0.883 . . . . 0.0 110.246 171.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.53 132.17 11.1 Favored Glycine 0 N--CA 1.47 0.95 0 CA-C-O 119.408 -0.662 . . . . 0.0 112.877 174.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -138.79 142.51 38.75 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 128.465 2.706 . . . . 0.0 111.719 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.8 m -94.49 130.26 40.95 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.876 -0.515 . . . . 0.0 112.341 171.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.3 mt -140.26 134.8 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 126.4 1.88 . . . . 0.0 108.244 177.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.31 24.23 65.29 Favored Glycine 0 CA--C 1.544 1.855 0 O-C-N 121.178 -0.951 . . . . 0.0 114.597 -170.173 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.255 40.1 mt-10 68.11 22.32 8.39 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.246 1.818 . . . . 0.0 115.017 -173.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -140.36 152.71 46.0 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.062 1.345 . . . . 0.0 112.075 172.452 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 40.2 t -73.23 142.66 47.29 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.866 1.666 . . . . 0.0 114.833 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -149.06 161.69 41.43 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 127.711 2.404 . . . . 0.0 110.321 166.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.3 m -94.55 151.39 19.37 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.8 m -136.06 153.84 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.899 1.68 . . . . 0.0 110.958 176.377 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -74.26 -34.6 63.65 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -172.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 C--O 1.248 1.001 0 C-N-CA 125.744 1.618 . . . . 0.0 112.209 176.498 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -153.6 138.81 17.44 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 119.344 0.974 . . . . 0.0 110.24 -176.171 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.5 t -119.98 141.45 49.66 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.307 1.843 . . . . 0.0 112.442 -173.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -105.87 87.87 2.68 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.225 1.41 . . . . 0.0 109.347 -175.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -47.34 -48.68 25.39 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 126.87 2.068 . . . . 0.0 114.16 -175.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -65.29 -44.85 86.65 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.411 0.684 . . . . 0.0 111.799 -178.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -68.43 -35.69 77.99 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 121.607 -0.683 . . . . 0.0 111.486 176.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.01 -48.11 81.76 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.421 1.489 . . . . 0.0 111.556 172.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -55.6 -51.23 67.86 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.959 1.303 . . . . 0.0 111.997 174.325 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.62 -33.55 75.86 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.494 1.043 . . . . 0.0 112.546 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.0 m -68.8 -42.97 76.58 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.493 0.717 . . . . 0.0 111.93 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.4 m -71.18 -32.39 68.83 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.541 0.736 . . . . 0.0 112.606 174.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -59.25 -32.17 69.74 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.375 1.47 . . . . 0.0 112.555 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.9 m -60.69 -31.53 70.79 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.379 1.072 . . . . 0.0 112.843 171.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.8 mt -85.6 -18.1 34.29 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.079 1.351 . . . . 0.0 112.912 170.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.77 -8.17 57.91 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 127.072 2.272 . . . . 0.0 112.672 -173.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.7 mt -81.52 165.55 21.08 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.438 1.095 . . . . 0.0 111.69 -178.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 mp -91.43 159.15 16.11 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 168.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.59 139.75 15.68 Favored Glycine 0 N--CA 1.471 1.029 0 C-N-CA 124.441 1.02 . . . . 0.0 112.823 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -140.29 146.33 38.4 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 127.151 2.181 . . . . 0.0 111.85 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.8 m -91.8 109.83 21.16 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.303 0.641 . . . . 0.0 110.75 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.1 mm -121.92 107.51 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.989 1.316 . . . . 0.0 109.634 -174.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.44 42.32 93.85 Favored Glycine 0 CA--C 1.536 1.365 0 O-C-N 121.846 -0.534 . . . . 0.0 112.769 -174.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 61.36 23.27 13.54 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.517 1.927 . . . . 0.0 115.669 -176.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -134.39 137.92 44.44 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.883 1.673 . . . . 0.0 111.763 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.3 t -66.22 130.29 42.71 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.325 1.05 . . . . 0.0 112.13 176.399 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -135.28 144.89 47.03 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.609 1.564 . . . . 0.0 109.901 170.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.6 m -91.48 150.2 21.33 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.6 m -139.45 151.61 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.512 1.525 . . . . 0.0 111.451 -177.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -85.8 -25.76 26.14 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -173.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 . . . . . 0 C--O 1.25 1.115 0 C-N-CA 125.424 1.489 . . . . 0.0 114.3 -169.538 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 119.086 -0.483 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -140.84 155.75 46.28 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.348 1.459 . . . . 0.0 110.912 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.0 p -114.74 171.91 7.36 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.308 1.043 . . . . 0.0 113.7 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -142.13 105.69 4.67 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 124.978 1.311 . . . . 0.0 110.076 168.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.96 -41.8 83.67 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.048 1.339 . . . . 0.0 110.927 -178.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -50.9 69.48 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.961 0.904 . . . . 0.0 112.398 173.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -69.2 -33.63 73.65 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 119.216 0.917 . . . . 0.0 112.866 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.8 t -65.95 -39.97 90.93 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.204 1.001 . . . . 0.0 112.132 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -59.74 -44.77 93.66 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 120.753 -1.217 . . . . 0.0 112.929 170.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.74 -41.25 97.4 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.97 0.804 . . . . 0.0 111.232 175.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.8 m -60.45 -49.12 78.82 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 122.717 0.407 . . . . 0.0 111.497 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.5 m -69.57 -25.92 64.23 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -57.29 -30.51 64.79 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.401 1.081 . . . . 0.0 112.188 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.4 p -63.2 -31.73 72.95 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 175.701 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.2 mt -90.35 -10.45 43.99 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.949 2.1 . . . . 0.0 111.852 173.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.26 17.0 70.23 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 125.209 1.385 . . . . 0.0 113.212 -175.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.6 mt -105.22 171.11 7.49 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.771 1.628 . . . . 0.0 113.479 -172.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.3 mt -106.08 128.34 53.81 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.494 1.518 . . . . 0.0 110.914 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.05 132.11 11.09 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-O 119.235 -0.758 . . . . 0.0 112.784 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -133.99 125.29 27.86 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.867 1.267 . . . . 0.0 112.085 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.2 t -89.07 140.83 29.05 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 176.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.7 mt -125.82 115.63 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 126.387 1.875 . . . . 0.0 108.098 167.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.76 -79.59 0.13 Allowed Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.153 1.359 . . . . 0.0 112.459 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -146.48 -3.26 0.64 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.866 2.067 . . . . 0.0 114.169 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -106.51 135.52 47.88 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.029 1.332 . . . . 0.0 109.916 175.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.9 t -127.16 134.27 50.2 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.386 0.674 . . . . 0.0 111.158 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -131.44 157.89 42.28 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.578 1.151 . . . . 0.0 112.442 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.0 m -85.68 146.65 26.74 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.029 0.932 . . . . 0.0 111.612 173.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.2 m -140.85 161.78 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 126.144 1.778 . . . . 0.0 110.74 172.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -77.91 -27.67 49.57 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 177.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 117.306 -1.33 . . . . 0.0 112.955 -170.525 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.823 0 CA-C-O 120.618 0.246 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -130.33 159.45 36.92 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.814 1.646 . . . . 0.0 110.567 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.7 p -98.66 154.47 17.93 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -176.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -138.6 106.38 5.64 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.796 2.038 . . . . 0.0 106.777 173.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.06 -43.84 70.58 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.818 1.247 . . . . 0.0 113.251 -168.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -63.08 -41.55 99.45 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.91 0.884 . . . . 0.0 112.024 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.87 -31.8 69.81 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 121.128 -0.982 . . . . 0.0 112.746 172.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.3 t -64.08 -49.05 73.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.963 0.905 . . . . 0.0 112.481 171.415 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.47 -49.12 68.11 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.0 0.92 . . . . 0.0 112.349 170.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.06 -33.43 74.37 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.067 0.848 . . . . 0.0 112.556 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.3 m -71.6 -37.35 70.97 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.83 0.452 . . . . 0.0 112.213 177.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 63.9 m -74.38 -29.15 61.42 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.053 0.941 . . . . 0.0 112.936 172.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -56.4 -40.14 74.17 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.956 1.702 . . . . 0.0 112.31 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.9 m -68.12 -27.41 66.43 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.5 mt -80.35 -18.97 47.54 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.777 1.231 . . . . 0.0 113.253 173.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.8 9.95 60.59 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 126.868 2.175 . . . . 0.0 113.275 -175.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.9 mt -107.99 163.83 12.8 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.99 1.716 . . . . 0.0 111.803 -171.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.1 mt -93.21 142.14 27.64 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.971 0.908 . . . . 0.0 110.511 173.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.72 146.22 16.04 Favored Glycine 0 CA--C 1.536 1.386 0 N-CA-C 115.594 0.997 . . . . 0.0 115.594 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.84 150.09 33.52 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.661 1.985 . . . . 0.0 109.844 168.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.5 t -85.92 140.54 30.27 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.816 -0.552 . . . . 0.0 109.785 168.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.8 mm -111.89 -41.53 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -175.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.42 77.34 0.16 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 126.391 1.948 . . . . 0.0 111.834 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 59.94 6.12 0.87 Allowed 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -172.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -140.46 145.68 37.26 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.066 1.746 . . . . 0.0 111.956 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.6 t -73.71 141.21 46.4 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.739 1.615 . . . . 0.0 113.102 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -132.48 135.02 45.74 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.839 1.655 . . . . 0.0 109.547 169.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.6 m -94.71 151.05 19.59 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.319 0.648 . . . . 0.0 112.119 170.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.2 m -138.39 155.23 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 126.224 1.81 . . . . 0.0 111.083 174.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -74.89 -40.1 61.12 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.08 1.752 . . . . 0.0 111.134 -172.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -151.13 139.56 20.45 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.952 1.701 . . . . 0.0 108.057 178.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.1 t -154.32 148.77 26.19 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 171.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -137.03 121.55 18.35 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 127.495 2.318 . . . . 0.0 105.528 171.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -52.45 -52.14 55.61 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.642 1.577 . . . . 0.0 114.654 -167.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -67.48 -36.19 80.63 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -68.32 -33.57 74.56 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.681 1.128 . . . . 0.0 112.37 171.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.5 t -64.96 -44.95 87.73 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.946 0.898 . . . . 0.0 111.924 169.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -54.54 -46.37 73.59 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.103 -0.998 . . . . 0.0 112.863 172.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.1 mt -73.8 -19.32 60.8 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.9 m -78.16 -38.32 43.87 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.119 0.968 . . . . 0.0 112.11 171.32 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.3 m -75.01 -29.3 60.8 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.225 1.01 . . . . 0.0 112.741 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.0 tpp85 -57.81 -32.81 67.94 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.79 0.723 . . . . 0.0 112.111 173.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.7 m -57.34 -28.21 62.92 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.327 0.967 . . . . 0.0 113.043 171.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.3 mt -94.94 -9.19 34.83 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.215 1.806 . . . . 0.0 114.106 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.01 23.69 37.42 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.093 1.33 . . . . 0.0 112.677 -176.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.2 mt -123.39 167.96 13.15 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.318 1.847 . . . . 0.0 111.483 -169.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -104.93 142.1 35.36 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.052 1.341 . . . . 0.0 109.579 174.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.54 142.92 16.42 Favored Glycine 0 N--CA 1.47 0.925 0 C-N-CA 123.458 0.552 . . . . 0.0 114.388 -174.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.82 136.93 36.15 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.222 1.409 . . . . 0.0 109.732 169.768 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.8 m -82.1 125.25 30.63 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.725 0.41 . . . . 0.0 110.178 169.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 27.8 mm -128.74 104.0 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 125.166 1.386 . . . . 0.0 107.821 -177.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.41 38.48 93.51 Favored Glycine 0 CA--C 1.537 1.409 0 O-C-N 121.221 -0.924 . . . . 0.0 112.908 -175.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.258 43.4 mt-10 60.51 19.01 8.82 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 127.276 2.23 . . . . 0.0 116.013 -171.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -105.85 130.25 53.86 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.446 -1.408 . . . . 0.0 109.952 168.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.5 t -73.46 127.33 32.4 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 121.724 -0.61 . . . . 0.0 110.676 173.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -131.29 152.11 50.86 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.113 1.365 . . . . 0.0 111.141 173.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.6 m -122.84 127.31 48.88 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -169.41 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.4 m -111.55 150.15 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.296 1.439 . . . . 0.0 110.755 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -63.91 -38.5 91.31 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.231 -0.918 . . . . 0.0 112.699 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.287 0 C-N-CA 127.005 2.122 . . . . 0.0 111.685 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -130.29 163.52 26.6 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.157 2.183 . . . . 0.0 109.12 174.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.3 m -63.11 152.39 37.36 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 173.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -129.6 68.78 1.42 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.996 1.718 . . . . 0.0 107.387 169.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -48.82 -47.38 42.43 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -168.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -68.33 -38.91 81.99 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -62.25 -40.23 95.48 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.607 1.094 . . . . 0.0 111.202 170.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.6 t -63.64 -45.73 88.88 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.061 0.944 . . . . 0.0 112.521 174.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.91 -41.3 82.39 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.662 1.185 . . . . 0.0 112.632 174.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.0 mt -69.28 -33.47 73.26 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.198 0.999 . . . . 0.0 112.343 174.195 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.3 t -67.81 -53.97 22.81 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.525 1.13 . . . . 0.0 111.61 176.337 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.4 m -61.23 -30.51 70.49 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.559 -0.713 . . . . 0.0 112.431 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -61.04 -32.64 72.26 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.083 0.953 . . . . 0.0 113.204 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.2 t -67.34 -34.32 77.09 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 171.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 mt -77.41 -14.69 59.65 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 125.029 1.332 . . . . 0.0 113.678 176.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.16 27.65 11.88 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 126.292 1.901 . . . . 0.0 113.184 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.7 mt -133.15 -177.33 4.47 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.057 2.143 . . . . 0.0 112.087 -170.691 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.9 mt -123.87 146.17 48.59 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.914 2.086 . . . . 0.0 111.042 174.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.52 138.45 14.18 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.898 0.761 . . . . 0.0 114.454 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.71 133.86 27.73 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.371 1.469 . . . . 0.0 112.225 170.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.9 t -73.06 126.91 31.08 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.156 0.982 . . . . 0.0 110.922 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.3 mt -145.72 107.03 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 127.104 2.161 . . . . 0.0 108.419 -176.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.57 38.09 44.73 Favored Glycine 0 CA--C 1.539 1.537 0 N-CA-C 115.578 0.991 . . . . 0.0 115.578 173.51 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 58.28 30.3 19.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.394 1.878 . . . . 0.0 113.548 -173.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -142.6 166.56 24.34 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 129.706 3.203 . . . . 0.0 107.539 170.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.8 t -122.16 136.21 54.88 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 120.853 -1.154 . . . . 0.0 112.745 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -114.27 148.57 37.25 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.59 1.556 . . . . 0.0 111.685 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 57.5 m -97.88 131.45 44.35 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.819 0.848 . . . . 0.0 111.598 171.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.5 m -141.12 167.64 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.728 1.611 . . . . 0.0 111.007 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -80.03 -31.77 39.57 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 175.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.828 1.651 . . . . 0.0 113.009 179.865 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -137.75 10.52 2.89 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.8 t -137.65 153.52 49.83 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -167.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -134.13 126.71 30.58 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.47 1.908 . . . . 0.0 108.008 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -53.49 -53.05 56.97 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 125.381 1.472 . . . . 0.0 114.041 -169.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -64.81 -41.17 96.0 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.551 0.614 . . . . 0.0 112.432 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.3 tpp180 -58.26 -40.22 81.28 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.239 1.016 . . . . 0.0 111.869 172.437 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.6 t -71.39 -42.3 68.54 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.578 1.151 . . . . 0.0 112.802 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.72 -41.48 90.96 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 120.891 -1.13 . . . . 0.0 112.471 173.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.8 mt -67.84 -34.92 77.67 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.682 0.793 . . . . 0.0 112.162 173.079 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.4 t -65.38 -48.87 71.41 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.348 1.059 . . . . 0.0 111.369 176.448 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.1 m -71.07 -30.11 66.15 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.564 0.746 . . . . 0.0 112.685 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -56.21 -38.19 70.69 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.382 0.992 . . . . 0.0 112.415 173.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.1 m -66.09 -16.56 64.04 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 173.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.8 mt -98.06 -13.5 21.0 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.485 1.514 . . . . 0.0 112.61 171.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.87 17.76 46.7 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.159 1.362 . . . . 0.0 113.636 -175.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 mt -120.06 168.52 11.09 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.481 1.913 . . . . 0.0 111.48 -173.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.2 mt -94.23 158.26 15.67 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.486 -0.759 . . . . 0.0 109.56 169.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.28 142.84 17.3 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-N 118.926 0.785 . . . . 0.0 114.561 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.77 148.04 38.31 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.964 1.305 . . . . 0.0 111.842 169.423 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.4 m -83.87 56.33 3.63 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.338 1.055 . . . . 0.0 112.621 176.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.4 mt -66.3 119.53 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.9 1.28 . . . . 0.0 109.747 -177.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.83 16.72 78.1 Favored Glycine 0 CA--C 1.541 1.699 0 O-C-N 121.546 -0.721 . . . . 0.0 114.637 -170.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 65.83 28.75 10.74 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.682 1.993 . . . . 0.0 113.621 -170.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -133.43 142.9 48.55 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 126.778 2.031 . . . . 0.0 109.349 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 52.3 t -73.52 121.51 20.72 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 121.162 -0.961 . . . . 0.0 111.825 -177.495 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -131.37 144.42 51.21 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.695 1.598 . . . . 0.0 109.732 168.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.1 m -92.5 150.51 20.72 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.258 0.551 . . . . 0.0 111.773 176.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.42 149.26 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.683 1.593 . . . . 0.0 110.642 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -84.83 -21.2 29.95 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -169.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.254 1.29 0 C-N-CA 126.215 1.806 . . . . 0.0 113.31 -175.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 120.454 0.168 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -132.3 154.49 49.64 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.285 1.834 . . . . 0.0 110.76 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.9 t -134.07 164.91 26.28 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.829 1.652 . . . . 0.0 111.331 -169.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -129.42 105.09 7.87 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.341 1.857 . . . . 0.0 108.898 -177.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.38 -60.01 4.53 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.352 1.461 . . . . 0.0 114.571 -168.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -57.82 -42.28 83.98 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.708 0.803 . . . . 0.0 111.438 174.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -60.22 -44.74 94.91 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.995 0.816 . . . . 0.0 111.801 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.1 t -59.36 -49.76 76.59 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.729 1.212 . . . . 0.0 111.456 172.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -58.15 -44.05 87.68 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.84 -37.86 82.43 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.622 0.769 . . . . 0.0 112.144 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.8 t -65.85 -43.13 89.41 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.054 0.542 . . . . 0.0 112.177 175.608 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.2 m -65.89 -28.87 69.27 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.385 -0.822 . . . . 0.0 112.972 173.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -58.1 -35.39 71.36 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.092 0.86 . . . . 0.0 112.46 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.1 m -66.05 -29.34 69.67 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.128 0.971 . . . . 0.0 113.332 174.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.6 mt -79.52 -16.4 56.06 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.17 0.988 . . . . 0.0 112.549 174.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.51 19.19 35.88 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 125.507 1.527 . . . . 0.0 112.504 -174.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.7 mt -116.63 178.56 4.29 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.48 1.512 . . . . 0.0 112.516 -171.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.4 mt -98.23 166.53 11.36 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.521 1.928 . . . . 0.0 108.201 167.053 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.12 159.48 27.45 Favored Glycine 0 N--CA 1.47 0.936 0 CA-C-N 119.229 0.922 . . . . 0.0 114.139 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -163.33 147.42 10.83 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.378 -1.072 . . . . 0.0 112.171 -177.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.1 m -88.15 121.37 30.47 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 167.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.7 mt -88.5 55.87 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.53 1.132 . . . . 0.0 108.292 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.74 -69.65 0.57 Allowed Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.891 1.71 . . . . 0.0 113.717 -171.142 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -94.26 -26.39 16.64 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.624 1.57 . . . . 0.0 114.325 -172.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -145.25 145.61 31.35 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -171.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.9 t -68.65 147.98 51.11 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.709 1.604 . . . . 0.0 111.999 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -148.82 138.83 22.2 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.149 1.38 . . . . 0.0 110.038 168.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.6 m -91.77 145.59 24.45 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 122.579 0.352 . . . . 0.0 111.48 174.095 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.4 m -140.18 158.05 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.91 1.284 . . . . 0.0 111.306 -175.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -87.41 -36.55 17.68 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -172.211 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.1 m120 . . . . . 0 N--CA 1.481 1.093 0 C-N-CA 124.992 1.317 . . . . 0.0 113.952 -168.949 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 111.466 0.172 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -136.98 160.34 39.21 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.944 1.698 . . . . 0.0 110.824 175.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.1 t -145.14 156.23 43.76 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.226 1.01 . . . . 0.0 111.319 175.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -132.18 112.58 12.4 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.79 1.636 . . . . 0.0 108.383 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -52.36 -48.61 65.45 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.34 1.856 . . . . 0.0 114.301 -174.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -63.94 -45.38 89.46 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.494 0.718 . . . . 0.0 111.907 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -58.35 -39.53 79.79 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.732 0.813 . . . . 0.0 111.082 176.413 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.76 -49.73 60.91 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.966 1.307 . . . . 0.0 113.035 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -54.36 -39.26 66.98 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.267 1.027 . . . . 0.0 112.36 174.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.8 mt -68.76 -44.6 73.37 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.584 0.753 . . . . 0.0 111.74 174.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.3 t -60.6 -43.71 97.11 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.951 0.796 . . . . 0.0 112.344 178.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.3 m -68.44 -25.89 65.23 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.796 0.839 . . . . 0.0 113.132 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -62.4 -31.74 72.47 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.123 -0.986 . . . . 0.0 113.144 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.4 m -70.63 -18.0 62.87 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 172.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.0 mt -90.05 -11.05 42.59 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.049 1.34 . . . . 0.0 112.418 170.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.55 21.55 56.02 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.162 1.363 . . . . 0.0 112.423 -174.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.8 mt -116.38 172.13 7.39 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.002 1.721 . . . . 0.0 112.337 -172.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.0 mt -102.34 153.9 19.57 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.613 1.565 . . . . 0.0 109.882 169.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.34 141.97 16.46 Favored Glycine 0 CA--C 1.535 1.294 0 N-CA-C 114.876 0.71 . . . . 0.0 114.876 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -135.27 144.73 46.97 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 127.057 2.143 . . . . 0.0 110.785 168.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.0 m -88.57 116.83 27.09 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.81 -0.556 . . . . 0.0 111.073 171.26 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.6 mt -140.33 127.79 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.482 1.113 . . . . 0.0 109.256 -172.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.29 40.32 91.66 Favored Glycine 0 CA--C 1.534 1.233 0 O-C-N 121.333 -0.855 . . . . 0.0 112.299 -177.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 60.36 15.28 5.32 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.283 1.833 . . . . 0.0 115.02 -176.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -125.03 145.71 49.77 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.384 1.474 . . . . 0.0 111.029 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.9 t -69.94 126.91 31.09 Favored 'General case' 0 C--O 1.237 0.443 0 O-C-N 121.236 -0.915 . . . . 0.0 110.241 169.167 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -129.56 135.54 48.71 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.963 1.305 . . . . 0.0 110.353 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.8 m -100.4 144.19 29.7 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.611 0.764 . . . . 0.0 111.738 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.4 m -140.43 156.51 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 125.995 1.718 . . . . 0.0 110.339 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -70.22 -40.02 74.77 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.281 -0.887 . . . . 0.0 111.043 169.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 . . . . . 0 C--O 1.254 1.292 0 C-N-CA 129.713 3.205 . . . . 0.0 109.017 177.919 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -136.47 119.86 16.89 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.862 0.865 . . . . 0.0 110.773 175.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.3 p -76.44 161.34 28.74 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.579 0.752 . . . . 0.0 112.327 174.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -137.49 76.56 1.59 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.308 1.043 . . . . 0.0 108.592 -177.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.81 -49.9 14.65 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.258 1.823 . . . . 0.0 113.63 -168.317 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -69.03 -41.32 77.84 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 178.098 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -65.35 -34.09 77.51 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 120.373 1.442 . . . . 0.0 111.867 173.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.0 m -70.25 -38.18 75.08 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.879 2.472 . . . . 0.0 113.577 176.186 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -56.5 -34.26 66.8 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 120.908 -1.12 . . . . 0.0 112.373 171.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.6 mt -71.64 -29.03 64.18 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.795 0.838 . . . . 0.0 113.118 172.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.6 m -65.79 -42.98 90.06 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.08 0.855 . . . . 0.0 110.802 171.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.6 m -72.57 -35.04 67.86 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.16 0.584 . . . . 0.0 112.42 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -55.96 -30.72 62.16 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.976 1.31 . . . . 0.0 112.854 174.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.6 m -58.38 -37.58 75.57 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.289 1.036 . . . . 0.0 112.171 175.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.6 mt -90.93 -18.33 24.9 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.946 1.699 . . . . 0.0 113.234 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.56 22.45 24.02 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 125.167 1.365 . . . . 0.0 113.182 -173.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.7 mt -108.98 173.68 6.21 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.414 1.885 . . . . 0.0 111.707 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.3 mt -110.2 146.48 35.49 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.775 1.63 . . . . 0.0 110.317 172.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.62 136.84 12.91 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 123.85 0.738 . . . . 0.0 113.99 177.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -133.59 143.7 48.83 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.071 1.748 . . . . 0.0 110.51 169.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.5 t -87.04 134.26 33.51 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.442 1.019 . . . . 0.0 113.178 176.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.6 mt -141.63 120.87 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 125.963 1.705 . . . . 0.0 109.908 174.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.45 40.68 97.98 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.141 -0.975 . . . . 0.0 115.122 169.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 69.06 28.15 5.14 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.597 1.559 . . . . 0.0 115.081 -176.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -147.32 147.13 30.03 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.482 1.913 . . . . 0.0 110.701 174.727 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.7 m -89.82 132.76 35.08 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 120.899 -1.125 . . . . 0.0 112.885 172.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -109.77 138.11 46.61 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.391 1.876 . . . . 0.0 110.884 172.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.9 m -95.68 140.76 30.04 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.23 0.612 . . . . 0.0 112.384 173.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.9 m -143.19 159.81 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.308 1.443 . . . . 0.0 112.257 -178.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -78.95 -40.57 31.55 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 121.289 -0.882 . . . . 0.0 111.887 169.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.0 m120 . . . . . 0 C--O 1.254 1.311 0 C-N-CA 128.717 2.807 . . . . 0.0 110.27 -175.669 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.757 0 CA-C-O 120.26 0.076 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -81.01 17.26 1.25 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.654 1.982 . . . . 0.0 113.052 -175.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p -77.57 157.27 30.4 Favored 'General case' 0 CA--C 1.549 0.933 0 O-C-N 120.811 -1.181 . . . . 0.0 111.524 176.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -126.55 92.6 3.59 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.342 -1.474 . . . . 0.0 109.432 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.08 -42.89 86.57 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.313 -0.867 . . . . 0.0 112.289 -170.069 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -55.31 -41.65 72.67 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.667 0.787 . . . . 0.0 112.61 177.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -75.71 -39.46 57.35 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.222 1.409 . . . . 0.0 112.484 175.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.7 t -56.26 -40.03 73.54 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.775 0.83 . . . . 0.0 112.001 175.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -56.8 -49.9 73.94 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 170.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.68 -39.56 94.62 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.038 0.935 . . . . 0.0 111.058 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.0 t -66.43 -43.61 85.18 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.395 1.078 . . . . 0.0 112.302 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 93.9 m -70.38 -26.95 63.95 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 173.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -67.6 -24.78 65.52 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.775 -1.203 . . . . 0.0 112.931 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 m -64.2 -36.95 85.74 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.934 0.788 . . . . 0.0 111.494 168.691 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.6 mt -75.05 -11.12 60.03 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.11 1.364 . . . . 0.0 112.964 169.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.77 19.82 49.89 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 126.96 2.219 . . . . 0.0 113.467 177.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.3 mt -119.13 169.13 10.2 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.008 1.723 . . . . 0.0 113.158 -168.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 mp -82.66 148.09 28.14 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 168.071 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.99 137.87 13.84 Favored Glycine 0 N--CA 1.472 1.081 0 CA-C-N 118.816 0.735 . . . . 0.0 112.685 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.12 151.33 40.6 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.05 1.74 . . . . 0.0 111.534 176.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.9 t -85.9 128.01 34.73 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 122.668 0.387 . . . . 0.0 110.833 172.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.4 mt -127.89 108.75 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 124.376 1.07 . . . . 0.0 109.102 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.11 -92.87 0.57 Allowed Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 -170.402 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -138.88 17.51 2.66 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.728 1.611 . . . . 0.0 114.034 -171.663 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -147.5 159.94 43.17 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.028 1.331 . . . . 0.0 112.151 -176.129 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 43.3 t -80.45 137.27 36.46 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 121.542 0.687 . . . . 0.0 111.497 173.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -138.63 152.21 47.91 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.705 2.002 . . . . 0.0 110.507 173.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.5 m -115.41 140.19 49.36 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.601 0.76 . . . . 0.0 112.622 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.43 159.08 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.721 1.608 . . . . 0.0 111.974 -173.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -88.05 -21.77 24.57 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -178.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 t30 . . . . . 0 C--O 1.259 1.57 0 C-N-CA 128.581 2.753 . . . . 0.0 111.374 172.156 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 119.308 -0.377 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -136.08 22.51 3.27 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 -169.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.6 p -89.17 144.37 26.16 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.241 -1.537 . . . . 0.0 111.771 169.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -137.97 104.27 5.21 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 169.347 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.45 -48.91 77.9 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -168.144 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -65.61 -39.92 92.05 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 121.665 -0.647 . . . . 0.0 111.8 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -62.94 -41.4 99.48 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.084 0.953 . . . . 0.0 112.224 170.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.37 -41.98 99.05 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.197 0.999 . . . . 0.0 111.824 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -60.31 -45.06 94.72 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.372 -0.83 . . . . 0.0 112.447 172.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.9 mt -67.04 -38.21 85.47 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.401 1.001 . . . . 0.0 112.797 177.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.5 t -67.76 -48.74 65.53 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.553 1.541 . . . . 0.0 111.664 178.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.0 m -67.69 -28.75 67.95 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.16 -0.962 . . . . 0.0 112.564 174.602 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -59.13 -34.9 72.58 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.863 1.21 . . . . 0.0 112.061 174.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.7 m -69.93 -15.92 63.13 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 172.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.7 mt -94.31 -12.57 27.77 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.127 1.371 . . . . 0.0 112.532 169.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.88 18.61 50.45 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.621 1.581 . . . . 0.0 113.46 -175.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.4 mt -116.15 171.91 7.51 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.651 1.58 . . . . 0.0 113.39 -170.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.0 mt -99.55 124.09 44.42 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.031 1.333 . . . . 0.0 109.866 174.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.97 144.3 19.35 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-N 118.523 0.601 . . . . 0.0 113.725 177.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.89 150.2 34.76 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.519 1.928 . . . . 0.0 111.471 173.079 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.8 t -81.49 118.99 23.18 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.03 0.832 . . . . 0.0 109.104 166.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.3 mt -142.91 131.38 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.496 1.518 . . . . 0.0 108.789 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.22 39.75 96.38 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 123.855 0.741 . . . . 0.0 113.298 -178.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 57.42 16.93 3.48 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 -171.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -130.26 161.35 31.42 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.318 1.847 . . . . 0.0 111.902 -177.798 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.2 t -71.73 132.89 45.16 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.783 -1.198 . . . . 0.0 109.214 167.512 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -128.22 128.79 45.37 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.836 1.254 . . . . 0.0 109.711 170.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.9 m -89.23 143.54 26.76 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 123.584 0.552 . . . . 0.0 110.15 169.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.8 m -134.09 154.83 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 124.984 1.313 . . . . 0.0 110.58 174.075 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -75.5 -41.69 54.74 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 122.981 0.512 . . . . 0.0 111.796 175.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.255 1.342 0 C-N-CA 129.821 3.248 . . . . 0.0 110.77 173.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -132.04 113.73 13.72 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 119.947 1.249 . . . . 0.0 112.193 -167.67 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.9 p -90.71 163.5 14.48 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.379 0.671 . . . . 0.0 111.69 170.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -126.37 88.03 2.77 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.012 1.325 . . . . 0.0 108.392 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -42.84 68.59 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.314 1.046 . . . . 0.0 111.758 -178.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.413 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -61.9 -49.93 74.23 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.33 0.652 . . . . 0.0 111.979 176.542 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -64.45 -36.9 85.67 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.185 0.448 . . . . 0.0 111.312 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.8 t -62.59 -47.71 82.62 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.243 1.417 . . . . 0.0 111.676 175.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -55.1 -49.29 72.09 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.171 -0.956 . . . . 0.0 112.177 172.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.12 -28.83 64.58 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.324 0.649 . . . . 0.0 112.418 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.1 m -68.78 -43.07 76.47 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.148 0.979 . . . . 0.0 111.248 172.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.6 m -67.74 -31.44 71.36 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.444 -0.785 . . . . 0.0 112.228 172.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -60.24 -31.89 70.62 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.642 1.177 . . . . 0.0 113.249 176.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.9 t -66.14 -34.57 78.35 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.182 0.993 . . . . 0.0 112.761 171.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.8 mt -76.33 -26.35 55.67 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.109 0.964 . . . . 0.0 112.041 170.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.85 22.92 26.87 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 125.654 1.597 . . . . 0.0 112.809 -173.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.1 mt -110.58 169.28 8.86 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.938 2.095 . . . . 0.0 110.538 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.6 mt -93.19 152.94 18.91 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 118.419 -0.8 . . . . 0.0 109.698 168.376 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.54 142.37 16.83 Favored Glycine 0 N--CA 1.474 1.172 0 CA-C-N 119.079 0.854 . . . . 0.0 114.594 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -138.45 144.13 39.98 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 128.231 2.612 . . . . 0.0 111.085 -178.157 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.5 t -89.77 130.73 35.99 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.354 0.525 . . . . 0.0 109.788 167.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.8 mt -139.82 116.97 10.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 125.068 1.347 . . . . 0.0 107.992 176.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.64 56.23 25.74 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 124.278 0.942 . . . . 0.0 113.451 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 56.91 22.03 6.75 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.186 2.194 . . . . 0.0 114.471 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -143.78 141.83 30.61 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.735 -1.228 . . . . 0.0 113.244 -173.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 46.3 t -74.61 135.88 42.02 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.428 1.091 . . . . 0.0 113.056 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -136.94 138.87 41.08 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.535 1.534 . . . . 0.0 110.752 169.071 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.8 m -94.9 156.6 16.27 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.439 0.695 . . . . 0.0 112.808 174.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.9 m -136.33 143.94 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.675 1.59 . . . . 0.0 111.061 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -79.49 23.53 0.4 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.577 1.951 . . . . 0.0 116.213 -169.219 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.0 m120 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 125.014 1.326 . . . . 0.0 113.862 -174.122 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.609 0 CA-C-O 119.29 -0.385 . . . . 0.0 112.019 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -146.46 140.72 26.45 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.623 1.169 . . . . 0.0 111.821 -170.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.5 t -91.92 145.72 24.32 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.356 1.062 . . . . 0.0 112.523 176.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -145.64 75.13 1.41 Allowed 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 169.171 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.65 -45.61 91.5 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.53 1.132 . . . . 0.0 113.194 -167.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -62.51 -42.9 99.82 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.327 -0.858 . . . . 0.0 112.603 173.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -62.11 -38.13 87.73 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.035 0.834 . . . . 0.0 111.205 174.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.8 t -63.42 -49.42 73.82 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.283 1.433 . . . . 0.0 111.045 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -58.53 -45.44 88.85 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 120.295 -1.503 . . . . 0.0 113.287 173.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.43 -19.76 65.42 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.928 0.891 . . . . 0.0 112.515 177.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.3 m -78.3 -48.41 15.71 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.156 0.982 . . . . 0.0 110.941 168.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.6 m -67.14 -25.61 66.26 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.04 0.936 . . . . 0.0 113.429 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -61.94 -28.85 69.83 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.335 1.054 . . . . 0.0 112.816 174.674 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.3 t -64.6 -43.89 92.37 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.065 0.946 . . . . 0.0 111.282 169.238 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.3 mt -70.19 -20.86 63.09 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.384 1.074 . . . . 0.0 112.827 178.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.14 20.6 27.46 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.299 1.428 . . . . 0.0 113.329 -176.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.0 mt -120.38 -172.64 2.4 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.545 1.938 . . . . 0.0 112.087 -171.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.1 mt -111.35 166.39 11.15 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.664 2.386 . . . . 0.0 108.55 168.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -132.44 146.41 18.15 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 124.33 0.967 . . . . 0.0 113.903 -176.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -143.6 149.2 37.01 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 128.933 2.893 . . . . 0.0 112.03 -173.488 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.9 m -98.54 110.1 22.75 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.256 1.022 . . . . 0.0 110.77 168.025 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.3 mt -118.87 116.86 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.023 0.929 . . . . 0.0 109.619 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.69 72.88 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 123.785 0.707 . . . . 0.0 114.098 -174.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 72.05 10.66 6.08 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 128.154 2.582 . . . . 0.0 115.603 -170.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -121.8 136.78 54.94 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.786 1.176 . . . . 0.0 113.039 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.4 t -61.28 134.99 57.56 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 177.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -145.12 136.36 25.0 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.107 1.763 . . . . 0.0 111.318 174.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.3 m -93.86 140.1 30.08 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.6 m -136.51 157.47 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 126.198 1.799 . . . . 0.0 111.107 -174.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -77.97 -36.06 49.51 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.601 -0.687 . . . . 0.0 111.328 171.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.18 0 C-N-CA 125.917 1.687 . . . . 0.0 113.475 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.781 0 CA-C-O 118.587 -0.721 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -144.08 135.85 26.12 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.227 1.411 . . . . 0.0 111.517 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 m -60.91 148.68 38.85 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -175.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -144.45 111.79 6.01 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 125.81 1.644 . . . . 0.0 107.814 165.57 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.81 -43.22 76.7 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.504 0.722 . . . . 0.0 111.2 -175.188 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -65.07 -41.86 94.7 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -60.66 -36.01 77.64 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.94 1.245 . . . . 0.0 111.357 172.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.2 t -68.37 -43.95 76.23 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.081 0.952 . . . . 0.0 112.922 177.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -57.78 -43.5 85.62 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 120.887 -1.133 . . . . 0.0 112.5 173.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.8 mt -70.88 -27.38 63.77 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.314 1.046 . . . . 0.0 113.001 176.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.1 t -69.95 -52.28 25.77 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.853 0.861 . . . . 0.0 110.494 172.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.3 m -64.21 -27.23 68.92 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -62.01 -23.41 66.42 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.141 -0.974 . . . . 0.0 113.28 174.088 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.7 t -62.94 -34.82 78.27 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.546 1.139 . . . . 0.0 113.07 171.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.1 mt -81.21 -32.21 33.57 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.401 1.08 . . . . 0.0 111.197 169.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.3 20.37 7.89 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 126.339 1.923 . . . . 0.0 113.669 -176.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.8 mt -115.09 172.48 7.04 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.036 1.734 . . . . 0.0 112.796 -171.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.4 mt -87.87 156.92 19.14 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.215 1.006 . . . . 0.0 109.428 168.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.26 149.11 17.35 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.135 0.874 . . . . 0.0 113.29 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.78 152.64 39.87 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.676 1.99 . . . . 0.0 110.509 171.839 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.2 t -86.07 114.49 22.98 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 122.557 0.343 . . . . 0.0 110.741 168.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 60.9 mt -135.42 113.6 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.961 1.304 . . . . 0.0 109.891 -176.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.55 29.31 55.76 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.086 0.851 . . . . 0.0 113.396 -174.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.264 6.7 mt-10 55.27 39.23 31.27 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.85 1.66 . . . . 0.0 112.679 -169.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -139.68 144.89 37.8 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 127.614 2.366 . . . . 0.0 111.072 173.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.3 t -71.24 132.61 45.2 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.784 -0.573 . . . . 0.0 110.133 167.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -135.58 150.26 49.64 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.38 1.472 . . . . 0.0 111.499 170.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.4 m -107.55 145.53 33.07 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.7 m -138.7 154.96 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.734 1.214 . . . . 0.0 113.709 -169.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -102.33 -22.19 14.16 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.447 1.499 . . . . 0.0 113.031 177.632 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 m120 . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.322 1.449 . . . . 0.0 112.709 -174.127 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -127.09 153.82 45.49 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.879 1.672 . . . . 0.0 110.144 179.167 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 40.5 t -84.78 157.8 20.9 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.008 0.923 . . . . 0.0 112.608 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -130.18 106.89 8.9 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.226 1.41 . . . . 0.0 108.392 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.69 -43.31 85.01 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.129 1.372 . . . . 0.0 113.066 -168.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -62.41 -42.69 99.63 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.748 0.819 . . . . 0.0 112.072 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -72.2 -39.4 68.62 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.73 0.812 . . . . 0.0 111.577 176.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.9 t -56.58 -46.27 80.88 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.88 0.872 . . . . 0.0 111.7 172.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -56.58 -46.28 80.88 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.694 0.797 . . . . 0.0 112.768 172.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.33 -40.13 95.29 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.686 1.13 . . . . 0.0 112.097 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.8 m -67.42 -40.86 85.54 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 175.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.6 m -69.28 -35.0 75.59 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.859 0.754 . . . . 0.0 112.086 174.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -56.58 -36.9 69.89 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.24 0.927 . . . . 0.0 112.45 178.15 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.1 t -66.59 -30.48 70.78 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.977 0.911 . . . . 0.0 113.039 174.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.1 mt -78.84 -10.17 59.7 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.603 1.161 . . . . 0.0 113.352 172.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.35 14.27 57.46 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.932 1.73 . . . . 0.0 113.299 -174.151 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.9 mt -116.9 170.5 8.57 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.863 1.665 . . . . 0.0 112.751 -168.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.7 mt -102.64 145.15 30.09 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.271 1.029 . . . . 0.0 110.541 168.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.16 147.09 17.64 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 114.375 0.51 . . . . 0.0 114.375 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -143.82 144.85 31.96 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.705 2.002 . . . . 0.0 109.112 167.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.1 m -84.25 126.54 33.25 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.671 -0.643 . . . . 0.0 109.677 169.35 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 36.1 mm -136.56 125.01 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 126.376 1.87 . . . . 0.0 108.516 -175.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.4 44.7 58.8 Favored Glycine 0 CA--C 1.542 1.731 0 O-C-N 121.177 -0.952 . . . . 0.0 113.464 -176.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 56.57 21.85 6.1 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.184 2.194 . . . . 0.0 116.589 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -138.53 146.62 42.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.934 1.293 . . . . 0.0 112.509 174.107 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.7 t -63.36 136.58 57.74 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.218 -0.926 . . . . 0.0 113.06 177.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -137.28 132.79 34.22 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.936 2.094 . . . . 0.0 108.854 172.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.1 m -97.01 105.96 18.21 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.377 0.671 . . . . 0.0 111.394 -178.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.5 m -145.19 140.05 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.592 1.557 . . . . 0.0 111.815 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -70.95 -25.58 62.8 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.073 0.549 . . . . 0.0 111.973 174.528 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 . . . . . 0 C--O 1.248 1.005 0 C-N-CA 127.29 2.236 . . . . 0.0 114.198 177.733 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 121.619 0.723 . . . . 0.0 112.613 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -136.37 152.7 50.93 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 126.443 1.897 . . . . 0.0 110.701 -177.05 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.3 p -136.67 167.26 21.75 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.353 1.061 . . . . 0.0 113.379 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -144.94 99.8 3.39 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.696 1.998 . . . . 0.0 109.088 -178.06 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.02 -41.89 65.14 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.374 1.47 . . . . 0.0 112.863 -174.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -59.07 -43.93 91.81 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.175 0.99 . . . . 0.0 112.05 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -71.73 -39.52 70.03 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.583 1.153 . . . . 0.0 111.642 178.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.8 t -60.24 -44.2 95.44 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.937 0.895 . . . . 0.0 112.037 174.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -57.57 -44.33 85.21 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.79 0.836 . . . . 0.0 112.487 172.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.03 -29.32 68.28 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 176.054 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -68.56 -42.53 78.23 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.834 0.854 . . . . 0.0 111.969 172.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.6 m -74.24 -25.23 59.52 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.637 1.175 . . . . 0.0 113.35 177.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -38.45 64.5 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.777 1.231 . . . . 0.0 112.68 176.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.2 m -61.18 -33.57 73.67 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.604 1.162 . . . . 0.0 113.374 176.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.6 mt -81.51 -23.26 37.42 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.577 1.551 . . . . 0.0 112.161 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.03 22.66 24.75 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.925 1.25 . . . . 0.0 113.234 -171.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 58.8 mt -118.23 171.34 8.19 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.49 1.516 . . . . 0.0 112.198 -171.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -99.05 141.49 31.74 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.262 1.025 . . . . 0.0 109.708 170.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.52 147.12 18.53 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.806 0.717 . . . . 0.0 113.715 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.92 144.12 30.92 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.467 1.907 . . . . 0.0 109.337 168.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -79.39 126.74 31.21 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.524 -0.735 . . . . 0.0 109.233 167.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.9 mm -131.61 100.06 4.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 126.241 1.817 . . . . 0.0 108.023 -175.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.13 64.91 3.2 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.065 0.84 . . . . 0.0 113.012 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 63.37 3.82 1.52 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 127.469 2.308 . . . . 0.0 116.199 -177.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -149.15 141.74 24.41 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.826 1.194 . . . . 0.0 113.401 -169.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.9 t -59.62 144.62 47.22 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -178.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -141.97 145.74 34.82 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.69 2.396 . . . . 0.0 109.272 169.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.0 m -102.35 155.39 18.27 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.762 0.825 . . . . 0.0 112.596 174.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.5 m -144.39 155.85 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.114 1.766 . . . . 0.0 111.931 175.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -72.63 -20.28 61.3 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 . . . . . 0 N--CA 1.48 1.028 0 C-N-CA 125.996 1.718 . . . . 0.0 113.303 -170.468 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 110.574 -0.158 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -123.55 92.0 3.59 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.224 1.409 . . . . 0.0 110.096 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.7 p -70.09 166.47 19.76 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.166 0.986 . . . . 0.0 113.389 178.043 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -140.51 109.55 6.1 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.802 1.241 . . . . 0.0 109.985 175.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.86 -39.81 78.65 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.715 1.206 . . . . 0.0 113.992 -168.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -61.86 -48.53 80.14 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.045 1.293 . . . . 0.0 112.342 175.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -62.94 -35.57 80.55 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.324 0.649 . . . . 0.0 111.408 175.629 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.6 t -63.34 -51.41 66.07 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.735 0.814 . . . . 0.0 112.456 171.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -58.25 -39.01 78.03 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.658 1.183 . . . . 0.0 112.854 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.94 -40.82 83.21 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.36 1.064 . . . . 0.0 111.962 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.5 m -65.81 -31.44 72.4 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.202 -0.936 . . . . 0.0 112.517 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.5 m -79.65 -30.14 41.17 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.032 0.933 . . . . 0.0 112.764 168.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -60.04 -35.51 75.27 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.604 1.093 . . . . 0.0 111.631 175.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 61.1 m -60.28 -27.77 67.54 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 169.607 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.8 mt -89.7 -17.5 28.2 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.081 1.353 . . . . 0.0 112.376 176.701 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.65 23.9 19.73 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.941 1.734 . . . . 0.0 113.407 -175.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.3 mt -126.4 164.6 20.74 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.185 1.794 . . . . 0.0 112.618 -170.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 mp -90.38 146.64 24.01 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.056 0.543 . . . . 0.0 109.787 169.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.47 149.34 18.91 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 123.469 0.557 . . . . 0.0 114.381 177.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.45 132.29 20.11 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.188 1.795 . . . . 0.0 109.846 169.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.6 t -78.66 114.97 18.05 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.75 0.705 . . . . 0.0 110.879 169.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.3 mt -136.18 115.89 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 125.788 1.635 . . . . 0.0 108.282 -175.517 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.23 35.79 63.85 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 119.523 -0.598 . . . . 0.0 113.042 -175.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 64.68 2.96 1.81 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 127.053 2.141 . . . . 0.0 116.375 -173.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -119.8 155.59 32.27 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.169 1.388 . . . . 0.0 111.572 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.0 t -81.04 110.67 16.79 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.98 0.912 . . . . 0.0 112.18 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -95.51 151.5 19.25 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.153 0.981 . . . . 0.0 109.699 167.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.0 m -116.36 145.75 42.98 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.129 0.572 . . . . 0.0 112.173 173.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.0 m -129.88 150.78 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.653 1.581 . . . . 0.0 111.708 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -71.32 -34.62 70.73 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -176.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.7 m120 . . . . . 0 C--O 1.249 1.058 0 C-N-CA 128.187 2.595 . . . . 0.0 110.301 175.213 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 119.374 -0.346 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -139.84 128.88 23.61 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.513 1.125 . . . . 0.0 112.105 -176.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 40.9 t -129.75 147.16 51.5 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.126 0.97 . . . . 0.0 113.412 177.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -119.73 97.29 5.56 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.664 1.585 . . . . 0.0 108.955 -177.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -58.5 -47.5 83.9 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.042 1.737 . . . . 0.0 113.887 -167.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -66.81 -38.0 85.64 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.545 0.738 . . . . 0.0 111.502 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -70.01 -43.71 70.8 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.872 1.669 . . . . 0.0 112.612 177.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.8 t -59.4 -39.5 83.62 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.103 1.361 . . . . 0.0 112.211 176.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -59.04 -37.84 77.93 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 173.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.8 mt -64.3 -45.26 88.74 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.718 1.145 . . . . 0.0 111.256 173.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.2 m -63.42 -33.24 75.12 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.123 0.969 . . . . 0.0 112.891 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.1 m -79.68 -34.93 39.87 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -59.86 -33.98 72.52 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 120.045 1.293 . . . . 0.0 112.069 174.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.0 m -61.58 -21.64 64.49 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.199 1.4 . . . . 0.0 114.533 170.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.4 mt -98.05 -26.19 14.69 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.53 1.132 . . . . 0.0 112.321 173.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.02 14.36 13.75 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 125.998 1.761 . . . . 0.0 114.684 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.1 mt -116.85 169.41 9.41 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.649 1.58 . . . . 0.0 112.589 -169.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.5 mt -95.96 129.38 43.24 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.979 1.312 . . . . 0.0 110.723 173.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.95 133.3 11.65 Favored Glycine 0 N--CA 1.471 1.002 0 CA-C-N 118.348 0.522 . . . . 0.0 113.595 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.28 142.91 49.56 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.333 1.053 . . . . 0.0 110.778 169.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.7 m -77.51 109.44 11.46 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 121.804 0.811 . . . . 0.0 110.391 167.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.6 mt -128.45 123.71 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.502 1.521 . . . . 0.0 108.193 -174.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.52 34.05 88.29 Favored Glycine 0 CA--C 1.539 1.544 0 O-C-N 121.754 -0.591 . . . . 0.0 114.199 -174.212 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 61.56 26.31 16.05 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.308 1.443 . . . . 0.0 113.927 -172.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -138.65 147.36 42.77 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.194 1.398 . . . . 0.0 112.105 -177.285 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.7 t -74.33 122.74 23.39 Favored 'General case' 0 C--O 1.242 0.71 0 O-C-N 121.61 -0.681 . . . . 0.0 111.167 175.589 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -134.46 135.34 42.42 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.767 1.227 . . . . 0.0 110.254 176.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.9 m -93.34 143.56 26.15 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 121.678 0.751 . . . . 0.0 112.504 177.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.8 m -148.28 177.57 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 126.581 1.952 . . . . 0.0 111.009 -174.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -100.06 -14.72 18.49 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -177.029 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 N--CA 1.482 1.169 0 C-N-CA 127.205 2.202 . . . . 0.0 112.408 179.441 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.613 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -89.52 84.47 6.38 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.147 1.779 . . . . 0.0 107.77 -176.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.4 tp -57.86 -47.19 83.44 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.329 1.052 . . . . 0.0 113.588 -169.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -56.38 -46.88 79.89 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.4 0.68 . . . . 0.0 112.204 175.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -65.32 -38.76 91.16 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.422 1.01 . . . . 0.0 112.444 174.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.9 t -66.11 -44.05 85.46 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.48 1.512 . . . . 0.0 112.559 177.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -60.67 -41.42 95.05 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.281 1.432 . . . . 0.0 111.852 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.88 -34.77 75.98 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.189 0.996 . . . . 0.0 112.496 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -62.43 -47.53 83.69 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.607 0.763 . . . . 0.0 111.471 173.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.4 m -71.91 -30.69 65.62 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.185 -0.947 . . . . 0.0 113.237 176.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -54.34 -41.1 68.67 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.204 1.002 . . . . 0.0 111.458 173.423 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.4 m -60.73 -28.08 68.41 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 176.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 mt -92.93 -9.36 40.35 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.32 1.448 . . . . 0.0 113.928 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.87 23.64 55.08 Favored Glycine 0 N--CA 1.469 0.88 0 C-N-CA 126.127 1.823 . . . . 0.0 112.682 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.1 mt -111.48 170.09 8.36 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.34 1.856 . . . . 0.0 110.319 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.3 mt -99.36 135.73 40.35 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 118.759 -0.639 . . . . 0.0 110.507 170.05 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.65 140.87 15.26 Favored Glycine 0 N--CA 1.47 0.923 0 C-N-CA 123.585 0.612 . . . . 0.0 114.074 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.19 143.98 34.52 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.466 1.507 . . . . 0.0 111.242 177.333 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.9 t -84.18 120.27 25.99 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 123.991 0.916 . . . . 0.0 111.595 172.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.8 mm -133.0 99.82 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.93 1.692 . . . . 0.0 109.501 -174.347 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.99 53.32 46.14 Favored Glycine 0 CA--C 1.537 1.454 0 O-C-N 121.006 -1.059 . . . . 0.0 114.413 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 62.55 14.74 7.31 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.398 1.879 . . . . 0.0 115.272 -174.735 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -128.34 136.79 51.44 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.291 1.837 . . . . 0.0 110.792 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 40.2 t -80.73 132.19 35.52 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.52 -0.738 . . . . 0.0 110.929 174.315 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -137.57 150.15 47.25 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.696 1.198 . . . . 0.0 110.967 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.5 m -113.97 152.41 30.91 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.185 0.994 . . . . 0.0 112.621 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.5 m -135.23 149.32 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 125.14 1.376 . . . . 0.0 112.09 173.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -63.03 -59.33 4.96 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -174.834 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 . . . . . 0 C--O 1.256 1.417 0 C-N-CA 128.369 2.668 . . . . 0.0 115.345 175.814 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 CA--C 1.534 0.36 0 CA-C-O 120.863 0.363 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -130.67 71.6 1.47 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.611 1.164 . . . . 0.0 110.285 169.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.42 ' HA ' ' HB3' ' A' ' 8' ' ' CYS . 6.9 tp -59.87 -38.0 80.93 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.721 -1.237 . . . . 0.0 113.214 -171.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -60.63 -36.22 78.12 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 118.613 -0.708 . . . . 0.0 112.907 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -72.89 -46.33 53.32 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.781 1.232 . . . . 0.0 110.948 168.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.42 ' HB3' ' HA ' ' A' ' 5' ' ' LEU . 52.9 t -55.11 -46.01 75.53 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.576 1.55 . . . . 0.0 113.006 -177.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.37 -40.71 87.38 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.463 1.105 . . . . 0.0 112.94 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.0 mt -70.45 -36.54 73.99 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.815 0.846 . . . . 0.0 112.106 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.2 t -62.81 -46.88 85.9 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.482 0.713 . . . . 0.0 112.083 -178.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 83.4 m -74.25 -23.8 59.19 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -56.03 -33.36 64.86 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.092 0.957 . . . . 0.0 112.542 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.9 m -66.11 -28.48 68.84 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 174.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.3 mt -86.93 -13.79 43.71 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.915 1.286 . . . . 0.0 113.829 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.25 19.67 45.06 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.948 1.261 . . . . 0.0 112.598 -172.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.0 mt -119.16 169.4 9.98 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.534 1.534 . . . . 0.0 111.661 -173.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.5 mt -97.17 143.04 28.37 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.908 0.883 . . . . 0.0 110.246 171.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.53 132.17 11.1 Favored Glycine 0 N--CA 1.47 0.95 0 CA-C-O 119.408 -0.662 . . . . 0.0 112.877 174.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -138.79 142.51 38.75 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 128.465 2.706 . . . . 0.0 111.719 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.8 m -94.49 130.26 40.95 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.876 -0.515 . . . . 0.0 112.341 171.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.3 mt -140.26 134.8 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 126.4 1.88 . . . . 0.0 108.244 177.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.31 24.23 65.29 Favored Glycine 0 CA--C 1.544 1.855 0 O-C-N 121.178 -0.951 . . . . 0.0 114.597 -170.173 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.255 40.1 mt-10 68.11 22.32 8.39 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.246 1.818 . . . . 0.0 115.017 -173.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -140.36 152.71 46.0 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.062 1.345 . . . . 0.0 112.075 172.452 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 40.2 t -73.23 142.66 47.29 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.866 1.666 . . . . 0.0 114.833 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -149.06 161.69 41.43 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 127.711 2.404 . . . . 0.0 110.321 166.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.3 m -94.55 151.39 19.37 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.8 m -136.06 153.84 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.899 1.68 . . . . 0.0 110.958 176.377 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -74.26 -34.6 63.65 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -172.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 C--O 1.248 1.001 0 C-N-CA 125.744 1.618 . . . . 0.0 112.209 176.498 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.5 t . . . . . 0 CA--C 1.536 0.427 0 CA-C-O 121.478 0.656 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -105.87 87.87 2.68 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.225 1.41 . . . . 0.0 109.347 -175.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -47.34 -48.68 25.39 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 126.87 2.068 . . . . 0.0 114.16 -175.383 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -65.29 -44.85 86.65 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.411 0.684 . . . . 0.0 111.799 -178.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -68.43 -35.69 77.99 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 121.607 -0.683 . . . . 0.0 111.486 176.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.01 -48.11 81.76 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.421 1.489 . . . . 0.0 111.556 172.253 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -55.6 -51.23 67.86 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.959 1.303 . . . . 0.0 111.997 174.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.62 -33.55 75.86 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.494 1.043 . . . . 0.0 112.546 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.0 m -68.8 -42.97 76.58 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.493 0.717 . . . . 0.0 111.93 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.4 m -71.18 -32.39 68.83 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.541 0.736 . . . . 0.0 112.606 174.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -59.25 -32.17 69.74 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.375 1.47 . . . . 0.0 112.555 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.9 m -60.69 -31.53 70.79 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.379 1.072 . . . . 0.0 112.843 171.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.8 mt -85.6 -18.1 34.29 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.079 1.351 . . . . 0.0 112.912 170.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.77 -8.17 57.91 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 127.072 2.272 . . . . 0.0 112.672 -173.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.7 mt -81.52 165.55 21.08 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.438 1.095 . . . . 0.0 111.69 -178.75 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 mp -91.43 159.15 16.11 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 168.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.59 139.75 15.68 Favored Glycine 0 N--CA 1.471 1.029 0 C-N-CA 124.441 1.02 . . . . 0.0 112.823 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -140.29 146.33 38.4 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 127.151 2.181 . . . . 0.0 111.85 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.8 m -91.8 109.83 21.16 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.303 0.641 . . . . 0.0 110.75 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.1 mm -121.92 107.51 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.989 1.316 . . . . 0.0 109.634 -174.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.44 42.32 93.85 Favored Glycine 0 CA--C 1.536 1.365 0 O-C-N 121.846 -0.534 . . . . 0.0 112.769 -174.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 61.36 23.27 13.54 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.517 1.927 . . . . 0.0 115.669 -176.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -134.39 137.92 44.44 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.883 1.673 . . . . 0.0 111.763 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.3 t -66.22 130.29 42.71 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.325 1.05 . . . . 0.0 112.13 176.399 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -135.28 144.89 47.03 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.609 1.564 . . . . 0.0 109.901 170.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.6 m -91.48 150.2 21.33 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.6 m -139.45 151.61 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.512 1.525 . . . . 0.0 111.451 -177.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -85.8 -25.76 26.14 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -173.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 . . . . . 0 C--O 1.25 1.115 0 C-N-CA 125.424 1.489 . . . . 0.0 114.3 -169.538 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.0 p . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -142.13 105.69 4.67 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 124.978 1.311 . . . . 0.0 110.076 168.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.96 -41.8 83.67 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.048 1.339 . . . . 0.0 110.927 -178.828 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -50.9 69.48 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.961 0.904 . . . . 0.0 112.398 173.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -69.2 -33.63 73.65 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 119.216 0.917 . . . . 0.0 112.866 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.8 t -65.95 -39.97 90.93 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.204 1.001 . . . . 0.0 112.132 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -59.74 -44.77 93.66 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 120.753 -1.217 . . . . 0.0 112.929 170.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.74 -41.25 97.4 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.97 0.804 . . . . 0.0 111.232 175.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.8 m -60.45 -49.12 78.82 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 122.717 0.407 . . . . 0.0 111.497 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.5 m -69.57 -25.92 64.23 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -57.29 -30.51 64.79 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.401 1.081 . . . . 0.0 112.188 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.4 p -63.2 -31.73 72.95 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 175.701 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.2 mt -90.35 -10.45 43.99 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.949 2.1 . . . . 0.0 111.852 173.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.26 17.0 70.23 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 125.209 1.385 . . . . 0.0 113.212 -175.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.6 mt -105.22 171.11 7.49 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.771 1.628 . . . . 0.0 113.479 -172.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.3 mt -106.08 128.34 53.81 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.494 1.518 . . . . 0.0 110.914 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.05 132.11 11.09 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-O 119.235 -0.758 . . . . 0.0 112.784 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -133.99 125.29 27.86 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.867 1.267 . . . . 0.0 112.085 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.2 t -89.07 140.83 29.05 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 176.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.7 mt -125.82 115.63 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 126.387 1.875 . . . . 0.0 108.098 167.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.76 -79.59 0.13 Allowed Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.153 1.359 . . . . 0.0 112.459 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -146.48 -3.26 0.64 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.866 2.067 . . . . 0.0 114.169 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -106.51 135.52 47.88 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.029 1.332 . . . . 0.0 109.916 175.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.9 t -127.16 134.27 50.2 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.386 0.674 . . . . 0.0 111.158 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -131.44 157.89 42.28 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.578 1.151 . . . . 0.0 112.442 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.0 m -85.68 146.65 26.74 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.029 0.932 . . . . 0.0 111.612 173.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.2 m -140.85 161.78 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 126.144 1.778 . . . . 0.0 110.74 172.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -77.91 -27.67 49.57 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 177.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 117.306 -1.33 . . . . 0.0 112.955 -170.525 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.7 p . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -138.6 106.38 5.64 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.796 2.038 . . . . 0.0 106.777 173.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.06 -43.84 70.58 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.818 1.247 . . . . 0.0 113.251 -168.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -63.08 -41.55 99.45 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.91 0.884 . . . . 0.0 112.024 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.87 -31.8 69.81 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 121.128 -0.982 . . . . 0.0 112.746 172.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.3 t -64.08 -49.05 73.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.963 0.905 . . . . 0.0 112.481 171.415 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.47 -49.12 68.11 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.0 0.92 . . . . 0.0 112.349 170.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.06 -33.43 74.37 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.067 0.848 . . . . 0.0 112.556 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.3 m -71.6 -37.35 70.97 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.83 0.452 . . . . 0.0 112.213 177.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 63.9 m -74.38 -29.15 61.42 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.053 0.941 . . . . 0.0 112.936 172.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -56.4 -40.14 74.17 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.956 1.702 . . . . 0.0 112.31 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.9 m -68.12 -27.41 66.43 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.5 mt -80.35 -18.97 47.54 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.777 1.231 . . . . 0.0 113.253 173.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.8 9.95 60.59 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 126.868 2.175 . . . . 0.0 113.275 -175.016 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.9 mt -107.99 163.83 12.8 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.99 1.716 . . . . 0.0 111.803 -171.649 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.1 mt -93.21 142.14 27.64 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.971 0.908 . . . . 0.0 110.511 173.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.72 146.22 16.04 Favored Glycine 0 CA--C 1.536 1.386 0 N-CA-C 115.594 0.997 . . . . 0.0 115.594 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.84 150.09 33.52 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.661 1.985 . . . . 0.0 109.844 168.271 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.5 t -85.92 140.54 30.27 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.816 -0.552 . . . . 0.0 109.785 168.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.8 mm -111.89 -41.53 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -175.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.42 77.34 0.16 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 126.391 1.948 . . . . 0.0 111.834 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 59.94 6.12 0.87 Allowed 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -172.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -140.46 145.68 37.26 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.066 1.746 . . . . 0.0 111.956 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.6 t -73.71 141.21 46.4 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.739 1.615 . . . . 0.0 113.102 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -132.48 135.02 45.74 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.839 1.655 . . . . 0.0 109.547 169.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.6 m -94.71 151.05 19.59 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.319 0.648 . . . . 0.0 112.119 170.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.2 m -138.39 155.23 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 126.224 1.81 . . . . 0.0 111.083 174.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -74.89 -40.1 61.12 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.08 1.752 . . . . 0.0 111.134 -172.21 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.1 t . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -137.03 121.55 18.35 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 127.495 2.318 . . . . 0.0 105.528 171.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -52.45 -52.14 55.61 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.642 1.577 . . . . 0.0 114.654 -167.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -67.48 -36.19 80.63 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -68.32 -33.57 74.56 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.681 1.128 . . . . 0.0 112.37 171.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.5 t -64.96 -44.95 87.73 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.946 0.898 . . . . 0.0 111.924 169.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -54.54 -46.37 73.59 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.103 -0.998 . . . . 0.0 112.863 172.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.1 mt -73.8 -19.32 60.8 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.9 m -78.16 -38.32 43.87 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.119 0.968 . . . . 0.0 112.11 171.32 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.3 m -75.01 -29.3 60.8 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.225 1.01 . . . . 0.0 112.741 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.0 tpp85 -57.81 -32.81 67.94 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.79 0.723 . . . . 0.0 112.111 173.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.7 m -57.34 -28.21 62.92 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.327 0.967 . . . . 0.0 113.043 171.651 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.3 mt -94.94 -9.19 34.83 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.215 1.806 . . . . 0.0 114.106 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.01 23.69 37.42 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.093 1.33 . . . . 0.0 112.677 -176.194 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.2 mt -123.39 167.96 13.15 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.318 1.847 . . . . 0.0 111.483 -169.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -104.93 142.1 35.36 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.052 1.341 . . . . 0.0 109.579 174.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.54 142.92 16.42 Favored Glycine 0 N--CA 1.47 0.925 0 C-N-CA 123.458 0.552 . . . . 0.0 114.388 -174.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.82 136.93 36.15 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.222 1.409 . . . . 0.0 109.732 169.768 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.8 m -82.1 125.25 30.63 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.725 0.41 . . . . 0.0 110.178 169.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 27.8 mm -128.74 104.0 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 125.166 1.386 . . . . 0.0 107.821 -177.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.41 38.48 93.51 Favored Glycine 0 CA--C 1.537 1.409 0 O-C-N 121.221 -0.924 . . . . 0.0 112.908 -175.168 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.258 43.4 mt-10 60.51 19.01 8.82 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 127.276 2.23 . . . . 0.0 116.013 -171.317 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -105.85 130.25 53.86 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.446 -1.408 . . . . 0.0 109.952 168.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.5 t -73.46 127.33 32.4 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 121.724 -0.61 . . . . 0.0 110.676 173.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -131.29 152.11 50.86 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.113 1.365 . . . . 0.0 111.141 173.016 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.6 m -122.84 127.31 48.88 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -169.41 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.4 m -111.55 150.15 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.296 1.439 . . . . 0.0 110.755 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -63.91 -38.5 91.31 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.231 -0.918 . . . . 0.0 112.699 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.287 0 C-N-CA 127.005 2.122 . . . . 0.0 111.685 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.3 m . . . . . 0 CA--C 1.55 0.975 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -129.6 68.78 1.42 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.996 1.718 . . . . 0.0 107.387 169.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -48.82 -47.38 42.43 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -168.046 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -68.33 -38.91 81.99 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -62.25 -40.23 95.48 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.607 1.094 . . . . 0.0 111.202 170.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.6 t -63.64 -45.73 88.88 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.061 0.944 . . . . 0.0 112.521 174.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.91 -41.3 82.39 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.662 1.185 . . . . 0.0 112.632 174.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.0 mt -69.28 -33.47 73.26 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.198 0.999 . . . . 0.0 112.343 174.195 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.3 t -67.81 -53.97 22.81 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.525 1.13 . . . . 0.0 111.61 176.337 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.4 m -61.23 -30.51 70.49 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.559 -0.713 . . . . 0.0 112.431 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -61.04 -32.64 72.26 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.083 0.953 . . . . 0.0 113.204 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.2 t -67.34 -34.32 77.09 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 171.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 mt -77.41 -14.69 59.65 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 125.029 1.332 . . . . 0.0 113.678 176.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.16 27.65 11.88 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 126.292 1.901 . . . . 0.0 113.184 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.7 mt -133.15 -177.33 4.47 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.057 2.143 . . . . 0.0 112.087 -170.691 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.9 mt -123.87 146.17 48.59 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.914 2.086 . . . . 0.0 111.042 174.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.52 138.45 14.18 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.898 0.761 . . . . 0.0 114.454 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.71 133.86 27.73 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.371 1.469 . . . . 0.0 112.225 170.335 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.9 t -73.06 126.91 31.08 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.156 0.982 . . . . 0.0 110.922 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.3 mt -145.72 107.03 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 127.104 2.161 . . . . 0.0 108.419 -176.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.57 38.09 44.73 Favored Glycine 0 CA--C 1.539 1.537 0 N-CA-C 115.578 0.991 . . . . 0.0 115.578 173.51 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 58.28 30.3 19.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.394 1.878 . . . . 0.0 113.548 -173.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -142.6 166.56 24.34 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 129.706 3.203 . . . . 0.0 107.539 170.752 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.8 t -122.16 136.21 54.88 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 120.853 -1.154 . . . . 0.0 112.745 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -114.27 148.57 37.25 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.59 1.556 . . . . 0.0 111.685 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 57.5 m -97.88 131.45 44.35 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.819 0.848 . . . . 0.0 111.598 171.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.5 m -141.12 167.64 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.728 1.611 . . . . 0.0 111.007 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -80.03 -31.77 39.57 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 175.33 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.828 1.651 . . . . 0.0 113.009 179.865 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.8 t . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -134.13 126.71 30.58 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.47 1.908 . . . . 0.0 108.008 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -53.49 -53.05 56.97 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 125.381 1.472 . . . . 0.0 114.041 -169.071 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -64.81 -41.17 96.0 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.551 0.614 . . . . 0.0 112.432 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.3 tpp180 -58.26 -40.22 81.28 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.239 1.016 . . . . 0.0 111.869 172.437 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.6 t -71.39 -42.3 68.54 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.578 1.151 . . . . 0.0 112.802 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.72 -41.48 90.96 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 120.891 -1.13 . . . . 0.0 112.471 173.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.8 mt -67.84 -34.92 77.67 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.682 0.793 . . . . 0.0 112.162 173.079 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.4 t -65.38 -48.87 71.41 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.348 1.059 . . . . 0.0 111.369 176.448 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.1 m -71.07 -30.11 66.15 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.564 0.746 . . . . 0.0 112.685 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -56.21 -38.19 70.69 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.382 0.992 . . . . 0.0 112.415 173.873 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.1 m -66.09 -16.56 64.04 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 173.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.8 mt -98.06 -13.5 21.0 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.485 1.514 . . . . 0.0 112.61 171.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.87 17.76 46.7 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.159 1.362 . . . . 0.0 113.636 -175.365 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 mt -120.06 168.52 11.09 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.481 1.913 . . . . 0.0 111.48 -173.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.2 mt -94.23 158.26 15.67 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.486 -0.759 . . . . 0.0 109.56 169.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.28 142.84 17.3 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-N 118.926 0.785 . . . . 0.0 114.561 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.77 148.04 38.31 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.964 1.305 . . . . 0.0 111.842 169.423 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.4 m -83.87 56.33 3.63 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.338 1.055 . . . . 0.0 112.621 176.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.4 mt -66.3 119.53 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.9 1.28 . . . . 0.0 109.747 -177.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.83 16.72 78.1 Favored Glycine 0 CA--C 1.541 1.699 0 O-C-N 121.546 -0.721 . . . . 0.0 114.637 -170.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 65.83 28.75 10.74 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.682 1.993 . . . . 0.0 113.621 -170.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -133.43 142.9 48.55 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 126.778 2.031 . . . . 0.0 109.349 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 52.3 t -73.52 121.51 20.72 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 121.162 -0.961 . . . . 0.0 111.825 -177.495 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -131.37 144.42 51.21 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.695 1.598 . . . . 0.0 109.732 168.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.1 m -92.5 150.51 20.72 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.258 0.551 . . . . 0.0 111.773 176.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.42 149.26 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.683 1.593 . . . . 0.0 110.642 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -84.83 -21.2 29.95 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -169.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.254 1.29 0 C-N-CA 126.215 1.806 . . . . 0.0 113.31 -175.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.9 t . . . . . 0 CA--C 1.545 0.77 0 CA-C-O 121.018 0.437 . . . . 0.0 111.331 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -129.42 105.09 7.87 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.341 1.857 . . . . 0.0 108.898 -177.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.38 -60.01 4.53 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.352 1.461 . . . . 0.0 114.571 -168.086 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -57.82 -42.28 83.98 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.708 0.803 . . . . 0.0 111.438 174.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -60.22 -44.74 94.91 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.995 0.816 . . . . 0.0 111.801 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.1 t -59.36 -49.76 76.59 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.729 1.212 . . . . 0.0 111.456 172.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -58.15 -44.05 87.68 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.84 -37.86 82.43 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.622 0.769 . . . . 0.0 112.144 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.8 t -65.85 -43.13 89.41 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.054 0.542 . . . . 0.0 112.177 175.608 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.2 m -65.89 -28.87 69.27 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.385 -0.822 . . . . 0.0 112.972 173.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -58.1 -35.39 71.36 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.092 0.86 . . . . 0.0 112.46 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.1 m -66.05 -29.34 69.67 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.128 0.971 . . . . 0.0 113.332 174.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.6 mt -79.52 -16.4 56.06 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.17 0.988 . . . . 0.0 112.549 174.682 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.51 19.19 35.88 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 125.507 1.527 . . . . 0.0 112.504 -174.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.7 mt -116.63 178.56 4.29 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.48 1.512 . . . . 0.0 112.516 -171.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.4 mt -98.23 166.53 11.36 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.521 1.928 . . . . 0.0 108.201 167.053 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.12 159.48 27.45 Favored Glycine 0 N--CA 1.47 0.936 0 CA-C-N 119.229 0.922 . . . . 0.0 114.139 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -163.33 147.42 10.83 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.378 -1.072 . . . . 0.0 112.171 -177.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.1 m -88.15 121.37 30.47 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 167.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.7 mt -88.5 55.87 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.53 1.132 . . . . 0.0 108.292 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.74 -69.65 0.57 Allowed Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.891 1.71 . . . . 0.0 113.717 -171.142 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -94.26 -26.39 16.64 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.624 1.57 . . . . 0.0 114.325 -172.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -145.25 145.61 31.35 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -171.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.9 t -68.65 147.98 51.11 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.709 1.604 . . . . 0.0 111.999 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -148.82 138.83 22.2 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.149 1.38 . . . . 0.0 110.038 168.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.6 m -91.77 145.59 24.45 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 122.579 0.352 . . . . 0.0 111.48 174.095 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.4 m -140.18 158.05 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.91 1.284 . . . . 0.0 111.306 -175.408 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -87.41 -36.55 17.68 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -172.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.1 m120 . . . . . 0 N--CA 1.481 1.093 0 C-N-CA 124.992 1.317 . . . . 0.0 113.952 -168.949 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.1 t . . . . . 0 CA--C 1.543 0.687 0 CA-C-O 121.008 0.432 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -132.18 112.58 12.4 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.79 1.636 . . . . 0.0 108.383 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -52.36 -48.61 65.45 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.34 1.856 . . . . 0.0 114.301 -174.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -63.94 -45.38 89.46 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.494 0.718 . . . . 0.0 111.907 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -58.35 -39.53 79.79 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.732 0.813 . . . . 0.0 111.082 176.413 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.76 -49.73 60.91 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.966 1.307 . . . . 0.0 113.035 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -54.36 -39.26 66.98 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.267 1.027 . . . . 0.0 112.36 174.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.8 mt -68.76 -44.6 73.37 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.584 0.753 . . . . 0.0 111.74 174.292 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.3 t -60.6 -43.71 97.11 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.951 0.796 . . . . 0.0 112.344 178.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.3 m -68.44 -25.89 65.23 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.796 0.839 . . . . 0.0 113.132 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -62.4 -31.74 72.47 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.123 -0.986 . . . . 0.0 113.144 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.4 m -70.63 -18.0 62.87 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 172.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.0 mt -90.05 -11.05 42.59 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.049 1.34 . . . . 0.0 112.418 170.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.55 21.55 56.02 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.162 1.363 . . . . 0.0 112.423 -174.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.8 mt -116.38 172.13 7.39 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.002 1.721 . . . . 0.0 112.337 -172.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.0 mt -102.34 153.9 19.57 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.613 1.565 . . . . 0.0 109.882 169.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.34 141.97 16.46 Favored Glycine 0 CA--C 1.535 1.294 0 N-CA-C 114.876 0.71 . . . . 0.0 114.876 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -135.27 144.73 46.97 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 127.057 2.143 . . . . 0.0 110.785 168.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.0 m -88.57 116.83 27.09 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.81 -0.556 . . . . 0.0 111.073 171.26 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.6 mt -140.33 127.79 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.482 1.113 . . . . 0.0 109.256 -172.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.29 40.32 91.66 Favored Glycine 0 CA--C 1.534 1.233 0 O-C-N 121.333 -0.855 . . . . 0.0 112.299 -177.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 60.36 15.28 5.32 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.283 1.833 . . . . 0.0 115.02 -176.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -125.03 145.71 49.77 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.384 1.474 . . . . 0.0 111.029 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.9 t -69.94 126.91 31.09 Favored 'General case' 0 C--O 1.237 0.443 0 O-C-N 121.236 -0.915 . . . . 0.0 110.241 169.167 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -129.56 135.54 48.71 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.963 1.305 . . . . 0.0 110.353 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.8 m -100.4 144.19 29.7 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.611 0.764 . . . . 0.0 111.738 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.4 m -140.43 156.51 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 125.995 1.718 . . . . 0.0 110.339 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -70.22 -40.02 74.77 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.281 -0.887 . . . . 0.0 111.043 169.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 . . . . . 0 C--O 1.254 1.292 0 C-N-CA 129.713 3.205 . . . . 0.0 109.017 177.919 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.3 p . . . . . 0 CA--C 1.542 0.671 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -137.49 76.56 1.59 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.308 1.043 . . . . 0.0 108.592 -177.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.81 -49.9 14.65 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.258 1.823 . . . . 0.0 113.63 -168.317 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -69.03 -41.32 77.84 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 178.098 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -65.35 -34.09 77.51 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 120.373 1.442 . . . . 0.0 111.867 173.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.0 m -70.25 -38.18 75.08 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.879 2.472 . . . . 0.0 113.577 176.186 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -56.5 -34.26 66.8 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 120.908 -1.12 . . . . 0.0 112.373 171.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.6 mt -71.64 -29.03 64.18 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.795 0.838 . . . . 0.0 113.118 172.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.6 m -65.79 -42.98 90.06 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.08 0.855 . . . . 0.0 110.802 171.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.6 m -72.57 -35.04 67.86 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.16 0.584 . . . . 0.0 112.42 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -55.96 -30.72 62.16 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.976 1.31 . . . . 0.0 112.854 174.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.6 m -58.38 -37.58 75.57 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.289 1.036 . . . . 0.0 112.171 175.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.6 mt -90.93 -18.33 24.9 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.946 1.699 . . . . 0.0 113.234 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.56 22.45 24.02 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 125.167 1.365 . . . . 0.0 113.182 -173.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.7 mt -108.98 173.68 6.21 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.414 1.885 . . . . 0.0 111.707 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.3 mt -110.2 146.48 35.49 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.775 1.63 . . . . 0.0 110.317 172.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.62 136.84 12.91 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 123.85 0.738 . . . . 0.0 113.99 177.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -133.59 143.7 48.83 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.071 1.748 . . . . 0.0 110.51 169.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.5 t -87.04 134.26 33.51 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.442 1.019 . . . . 0.0 113.178 176.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.6 mt -141.63 120.87 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 125.963 1.705 . . . . 0.0 109.908 174.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.45 40.68 97.98 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.141 -0.975 . . . . 0.0 115.122 169.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 69.06 28.15 5.14 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.597 1.559 . . . . 0.0 115.081 -176.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -147.32 147.13 30.03 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.482 1.913 . . . . 0.0 110.701 174.727 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.7 m -89.82 132.76 35.08 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 120.899 -1.125 . . . . 0.0 112.885 172.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -109.77 138.11 46.61 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.391 1.876 . . . . 0.0 110.884 172.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.9 m -95.68 140.76 30.04 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.23 0.612 . . . . 0.0 112.384 173.151 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.9 m -143.19 159.81 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.308 1.443 . . . . 0.0 112.257 -178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -78.95 -40.57 31.55 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 121.289 -0.882 . . . . 0.0 111.887 169.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.0 m120 . . . . . 0 C--O 1.254 1.311 0 C-N-CA 128.717 2.807 . . . . 0.0 110.27 -175.669 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 CA--C 1.549 0.933 0 CA-C-O 120.691 0.281 . . . . 0.0 111.524 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -126.55 92.6 3.59 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.342 -1.474 . . . . 0.0 109.432 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.08 -42.89 86.57 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.313 -0.867 . . . . 0.0 112.289 -170.069 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -55.31 -41.65 72.67 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.667 0.787 . . . . 0.0 112.61 177.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -75.71 -39.46 57.35 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.222 1.409 . . . . 0.0 112.484 175.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.7 t -56.26 -40.03 73.54 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.775 0.83 . . . . 0.0 112.001 175.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -56.8 -49.9 73.94 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 170.713 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.68 -39.56 94.62 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.038 0.935 . . . . 0.0 111.058 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.0 t -66.43 -43.61 85.18 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.395 1.078 . . . . 0.0 112.302 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 93.9 m -70.38 -26.95 63.95 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 173.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -67.6 -24.78 65.52 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.775 -1.203 . . . . 0.0 112.931 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 m -64.2 -36.95 85.74 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.934 0.788 . . . . 0.0 111.494 168.691 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.6 mt -75.05 -11.12 60.03 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.11 1.364 . . . . 0.0 112.964 169.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.77 19.82 49.89 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 126.96 2.219 . . . . 0.0 113.467 177.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.3 mt -119.13 169.13 10.2 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.008 1.723 . . . . 0.0 113.158 -168.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 mp -82.66 148.09 28.14 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 168.071 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.99 137.87 13.84 Favored Glycine 0 N--CA 1.472 1.081 0 CA-C-N 118.816 0.735 . . . . 0.0 112.685 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.12 151.33 40.6 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.05 1.74 . . . . 0.0 111.534 176.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.9 t -85.9 128.01 34.73 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 122.668 0.387 . . . . 0.0 110.833 172.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.4 mt -127.89 108.75 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 124.376 1.07 . . . . 0.0 109.102 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.11 -92.87 0.57 Allowed Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 -170.402 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -138.88 17.51 2.66 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.728 1.611 . . . . 0.0 114.034 -171.663 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -147.5 159.94 43.17 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.028 1.331 . . . . 0.0 112.151 -176.129 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 43.3 t -80.45 137.27 36.46 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 121.542 0.687 . . . . 0.0 111.497 173.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -138.63 152.21 47.91 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.705 2.002 . . . . 0.0 110.507 173.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.5 m -115.41 140.19 49.36 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.601 0.76 . . . . 0.0 112.622 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.43 159.08 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.721 1.608 . . . . 0.0 111.974 -173.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -88.05 -21.77 24.57 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -178.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 t30 . . . . . 0 C--O 1.259 1.57 0 C-N-CA 128.581 2.753 . . . . 0.0 111.374 172.156 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 CA--C 1.545 0.778 0 CA-C-O 120.704 0.287 . . . . 0.0 111.771 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -137.97 104.27 5.21 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 169.347 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.45 -48.91 77.9 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -168.144 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -65.61 -39.92 92.05 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 121.665 -0.647 . . . . 0.0 111.8 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -62.94 -41.4 99.48 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.084 0.953 . . . . 0.0 112.224 170.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.37 -41.98 99.05 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.197 0.999 . . . . 0.0 111.824 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -60.31 -45.06 94.72 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.372 -0.83 . . . . 0.0 112.447 172.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.9 mt -67.04 -38.21 85.47 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.401 1.001 . . . . 0.0 112.797 177.051 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.5 t -67.76 -48.74 65.53 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.553 1.541 . . . . 0.0 111.664 178.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.0 m -67.69 -28.75 67.95 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.16 -0.962 . . . . 0.0 112.564 174.602 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -59.13 -34.9 72.58 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.863 1.21 . . . . 0.0 112.061 174.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.7 m -69.93 -15.92 63.13 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 172.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.7 mt -94.31 -12.57 27.77 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.127 1.371 . . . . 0.0 112.532 169.286 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.88 18.61 50.45 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.621 1.581 . . . . 0.0 113.46 -175.115 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.4 mt -116.15 171.91 7.51 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.651 1.58 . . . . 0.0 113.39 -170.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.0 mt -99.55 124.09 44.42 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.031 1.333 . . . . 0.0 109.866 174.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.97 144.3 19.35 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-N 118.523 0.601 . . . . 0.0 113.725 177.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.89 150.2 34.76 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.519 1.928 . . . . 0.0 111.471 173.079 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.8 t -81.49 118.99 23.18 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.03 0.832 . . . . 0.0 109.104 166.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.3 mt -142.91 131.38 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.496 1.518 . . . . 0.0 108.789 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.22 39.75 96.38 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 123.855 0.741 . . . . 0.0 113.298 -178.477 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 57.42 16.93 3.48 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 -171.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -130.26 161.35 31.42 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.318 1.847 . . . . 0.0 111.902 -177.798 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.2 t -71.73 132.89 45.16 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.783 -1.198 . . . . 0.0 109.214 167.512 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -128.22 128.79 45.37 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.836 1.254 . . . . 0.0 109.711 170.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.9 m -89.23 143.54 26.76 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 123.584 0.552 . . . . 0.0 110.15 169.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.8 m -134.09 154.83 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 124.984 1.313 . . . . 0.0 110.58 174.075 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -75.5 -41.69 54.74 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 122.981 0.512 . . . . 0.0 111.796 175.402 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.255 1.342 0 C-N-CA 129.821 3.248 . . . . 0.0 110.77 173.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.9 p . . . . . 0 CA--C 1.538 0.5 0 CA-C-O 121.199 0.523 . . . . 0.0 111.69 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -126.37 88.03 2.77 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.012 1.325 . . . . 0.0 108.392 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -42.84 68.59 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.314 1.046 . . . . 0.0 111.758 -178.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.49 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -61.9 -49.93 74.23 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.33 0.652 . . . . 0.0 111.979 176.542 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -64.45 -36.9 85.67 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.185 0.448 . . . . 0.0 111.312 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.8 t -62.59 -47.71 82.62 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.243 1.417 . . . . 0.0 111.676 175.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -55.1 -49.29 72.09 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.171 -0.956 . . . . 0.0 112.177 172.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.12 -28.83 64.58 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.324 0.649 . . . . 0.0 112.418 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.1 m -68.78 -43.07 76.47 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.148 0.979 . . . . 0.0 111.248 172.217 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.6 m -67.74 -31.44 71.36 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.444 -0.785 . . . . 0.0 112.228 172.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -60.24 -31.89 70.62 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.642 1.177 . . . . 0.0 113.249 176.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.9 t -66.14 -34.57 78.35 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.182 0.993 . . . . 0.0 112.761 171.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.8 mt -76.33 -26.35 55.67 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.109 0.964 . . . . 0.0 112.041 170.796 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.85 22.92 26.87 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 125.654 1.597 . . . . 0.0 112.809 -173.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.1 mt -110.58 169.28 8.86 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.938 2.095 . . . . 0.0 110.538 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.6 mt -93.19 152.94 18.91 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 118.419 -0.8 . . . . 0.0 109.698 168.376 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.54 142.37 16.83 Favored Glycine 0 N--CA 1.474 1.172 0 CA-C-N 119.079 0.854 . . . . 0.0 114.594 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -138.45 144.13 39.98 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 128.231 2.612 . . . . 0.0 111.085 -178.157 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.5 t -89.77 130.73 35.99 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.354 0.525 . . . . 0.0 109.788 167.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.8 mt -139.82 116.97 10.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 125.068 1.347 . . . . 0.0 107.992 176.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.64 56.23 25.74 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 124.278 0.942 . . . . 0.0 113.451 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 56.91 22.03 6.75 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.186 2.194 . . . . 0.0 114.471 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -143.78 141.83 30.61 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.735 -1.228 . . . . 0.0 113.244 -173.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 46.3 t -74.61 135.88 42.02 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.428 1.091 . . . . 0.0 113.056 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -136.94 138.87 41.08 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.535 1.534 . . . . 0.0 110.752 169.071 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.8 m -94.9 156.6 16.27 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.439 0.695 . . . . 0.0 112.808 174.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.9 m -136.33 143.94 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.675 1.59 . . . . 0.0 111.061 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -79.49 23.53 0.4 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.577 1.951 . . . . 0.0 116.213 -169.219 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.0 m120 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 125.014 1.326 . . . . 0.0 113.862 -174.122 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.5 t . . . . . 0 CA--C 1.536 0.411 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -145.64 75.13 1.41 Allowed 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 169.171 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.65 -45.61 91.5 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.53 1.132 . . . . 0.0 113.194 -167.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -62.51 -42.9 99.82 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.327 -0.858 . . . . 0.0 112.603 173.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -62.11 -38.13 87.73 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.035 0.834 . . . . 0.0 111.205 174.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.8 t -63.42 -49.42 73.82 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.283 1.433 . . . . 0.0 111.045 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.433 ' HG2' ' H ' ' A' ' 19' ' ' GLY . 16.3 mt-10 -58.53 -45.44 88.85 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 120.295 -1.503 . . . . 0.0 113.287 173.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.43 -19.76 65.42 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.928 0.891 . . . . 0.0 112.515 177.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.3 m -78.3 -48.41 15.71 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.156 0.982 . . . . 0.0 110.941 168.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.6 m -67.14 -25.61 66.26 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.04 0.936 . . . . 0.0 113.429 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -61.94 -28.85 69.83 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.335 1.054 . . . . 0.0 112.816 174.674 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.3 t -64.6 -43.89 92.37 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.065 0.946 . . . . 0.0 111.282 169.238 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.3 mt -70.19 -20.86 63.09 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.384 1.074 . . . . 0.0 112.827 178.372 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.14 20.6 27.46 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.299 1.428 . . . . 0.0 113.329 -176.462 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.0 mt -120.38 -172.64 2.4 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.545 1.938 . . . . 0.0 112.087 -171.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.1 mt -111.35 166.39 11.15 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.664 2.386 . . . . 0.0 108.55 168.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.433 ' H ' ' HG2' ' A' ' 9' ' ' GLU . . . -132.44 146.41 18.15 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 124.33 0.967 . . . . 0.0 113.903 -176.533 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -143.6 149.2 37.01 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 128.933 2.893 . . . . 0.0 112.03 -173.488 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.9 m -98.54 110.1 22.75 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.256 1.022 . . . . 0.0 110.77 168.025 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.3 mt -118.87 116.86 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.023 0.929 . . . . 0.0 109.619 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.69 72.88 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 123.785 0.707 . . . . 0.0 114.098 -174.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 72.05 10.66 6.08 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 128.154 2.582 . . . . 0.0 115.603 -170.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -121.8 136.78 54.94 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.786 1.176 . . . . 0.0 113.039 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.4 t -61.28 134.99 57.56 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 177.443 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -145.12 136.36 25.0 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.107 1.763 . . . . 0.0 111.318 174.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.3 m -93.86 140.1 30.08 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.6 m -136.51 157.47 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 126.198 1.799 . . . . 0.0 111.107 -174.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -77.97 -36.06 49.51 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.601 -0.687 . . . . 0.0 111.328 171.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.18 0 C-N-CA 125.917 1.687 . . . . 0.0 113.475 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.542 0.662 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -144.45 111.79 6.01 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 125.81 1.644 . . . . 0.0 107.814 165.57 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.81 -43.22 76.7 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.504 0.722 . . . . 0.0 111.2 -175.188 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -65.07 -41.86 94.7 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -60.66 -36.01 77.64 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.94 1.245 . . . . 0.0 111.357 172.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.2 t -68.37 -43.95 76.23 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.081 0.952 . . . . 0.0 112.922 177.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -57.78 -43.5 85.62 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 120.887 -1.133 . . . . 0.0 112.5 173.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.8 mt -70.88 -27.38 63.77 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.314 1.046 . . . . 0.0 113.001 176.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.1 t -69.95 -52.28 25.77 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.853 0.861 . . . . 0.0 110.494 172.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.3 m -64.21 -27.23 68.92 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -62.01 -23.41 66.42 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.141 -0.974 . . . . 0.0 113.28 174.088 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.7 t -62.94 -34.82 78.27 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.546 1.139 . . . . 0.0 113.07 171.208 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.1 mt -81.21 -32.21 33.57 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.401 1.08 . . . . 0.0 111.197 169.785 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.3 20.37 7.89 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 126.339 1.923 . . . . 0.0 113.669 -176.358 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.8 mt -115.09 172.48 7.04 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.036 1.734 . . . . 0.0 112.796 -171.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.4 mt -87.87 156.92 19.14 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.215 1.006 . . . . 0.0 109.428 168.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.26 149.11 17.35 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.135 0.874 . . . . 0.0 113.29 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.78 152.64 39.87 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.676 1.99 . . . . 0.0 110.509 171.839 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.2 t -86.07 114.49 22.98 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 122.557 0.343 . . . . 0.0 110.741 168.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 60.9 mt -135.42 113.6 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.961 1.304 . . . . 0.0 109.891 -176.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.55 29.31 55.76 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.086 0.851 . . . . 0.0 113.396 -174.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.264 6.7 mt-10 55.27 39.23 31.27 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.85 1.66 . . . . 0.0 112.679 -169.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -139.68 144.89 37.8 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 127.614 2.366 . . . . 0.0 111.072 173.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.3 t -71.24 132.61 45.2 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.784 -0.573 . . . . 0.0 110.133 167.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -135.58 150.26 49.64 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.38 1.472 . . . . 0.0 111.499 170.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.4 m -107.55 145.53 33.07 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.7 m -138.7 154.96 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.734 1.214 . . . . 0.0 113.709 -169.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -102.33 -22.19 14.16 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.447 1.499 . . . . 0.0 113.031 177.632 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.322 1.449 . . . . 0.0 112.709 -174.127 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 40.5 t . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -130.18 106.89 8.9 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.226 1.41 . . . . 0.0 108.392 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.69 -43.31 85.01 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.129 1.372 . . . . 0.0 113.066 -168.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -62.41 -42.69 99.63 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.748 0.819 . . . . 0.0 112.072 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -72.2 -39.4 68.62 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.73 0.812 . . . . 0.0 111.577 176.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.9 t -56.58 -46.27 80.88 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.88 0.872 . . . . 0.0 111.7 172.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -56.58 -46.28 80.88 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.694 0.797 . . . . 0.0 112.768 172.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.33 -40.13 95.29 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.686 1.13 . . . . 0.0 112.097 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.8 m -67.42 -40.86 85.54 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 175.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.6 m -69.28 -35.0 75.59 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.859 0.754 . . . . 0.0 112.086 174.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -56.58 -36.9 69.89 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.24 0.927 . . . . 0.0 112.45 178.15 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.1 t -66.59 -30.48 70.78 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.977 0.911 . . . . 0.0 113.039 174.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.1 mt -78.84 -10.17 59.7 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.603 1.161 . . . . 0.0 113.352 172.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.35 14.27 57.46 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.932 1.73 . . . . 0.0 113.299 -174.151 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.9 mt -116.9 170.5 8.57 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.863 1.665 . . . . 0.0 112.751 -168.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.7 mt -102.64 145.15 30.09 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.271 1.029 . . . . 0.0 110.541 168.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.16 147.09 17.64 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 114.375 0.51 . . . . 0.0 114.375 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -143.82 144.85 31.96 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.705 2.002 . . . . 0.0 109.112 167.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.1 m -84.25 126.54 33.25 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.671 -0.643 . . . . 0.0 109.677 169.35 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 36.1 mm -136.56 125.01 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 126.376 1.87 . . . . 0.0 108.516 -175.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.4 44.7 58.8 Favored Glycine 0 CA--C 1.542 1.731 0 O-C-N 121.177 -0.952 . . . . 0.0 113.464 -176.527 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 56.57 21.85 6.1 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.184 2.194 . . . . 0.0 116.589 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -138.53 146.62 42.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.934 1.293 . . . . 0.0 112.509 174.107 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.7 t -63.36 136.58 57.74 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.218 -0.926 . . . . 0.0 113.06 177.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -137.28 132.79 34.22 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.936 2.094 . . . . 0.0 108.854 172.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.1 m -97.01 105.96 18.21 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.377 0.671 . . . . 0.0 111.394 -178.111 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.5 m -145.19 140.05 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.592 1.557 . . . . 0.0 111.815 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -70.95 -25.58 62.8 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.073 0.549 . . . . 0.0 111.973 174.528 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 . . . . . 0 C--O 1.248 1.005 0 C-N-CA 127.29 2.236 . . . . 0.0 114.198 177.733 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.3 p . . . . . 0 CA--C 1.545 0.758 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -144.94 99.8 3.39 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.696 1.998 . . . . 0.0 109.088 -178.06 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.02 -41.89 65.14 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.374 1.47 . . . . 0.0 112.863 -174.136 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -59.07 -43.93 91.81 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.175 0.99 . . . . 0.0 112.05 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -71.73 -39.52 70.03 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.583 1.153 . . . . 0.0 111.642 178.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.8 t -60.24 -44.2 95.44 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.937 0.895 . . . . 0.0 112.037 174.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -57.57 -44.33 85.21 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.79 0.836 . . . . 0.0 112.487 172.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.03 -29.32 68.28 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 176.054 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -68.56 -42.53 78.23 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.834 0.854 . . . . 0.0 111.969 172.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.6 m -74.24 -25.23 59.52 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.637 1.175 . . . . 0.0 113.35 177.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -38.45 64.5 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.777 1.231 . . . . 0.0 112.68 176.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.2 m -61.18 -33.57 73.67 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.604 1.162 . . . . 0.0 113.374 176.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.6 mt -81.51 -23.26 37.42 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.577 1.551 . . . . 0.0 112.161 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.03 22.66 24.75 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.925 1.25 . . . . 0.0 113.234 -171.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 58.8 mt -118.23 171.34 8.19 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.49 1.516 . . . . 0.0 112.198 -171.883 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -99.05 141.49 31.74 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.262 1.025 . . . . 0.0 109.708 170.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.52 147.12 18.53 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.806 0.717 . . . . 0.0 113.715 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.92 144.12 30.92 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.467 1.907 . . . . 0.0 109.337 168.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -79.39 126.74 31.21 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.524 -0.735 . . . . 0.0 109.233 167.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.9 mm -131.61 100.06 4.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 126.241 1.817 . . . . 0.0 108.023 -175.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.13 64.91 3.2 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.065 0.84 . . . . 0.0 113.012 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 63.37 3.82 1.52 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 127.469 2.308 . . . . 0.0 116.199 -177.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -149.15 141.74 24.41 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.826 1.194 . . . . 0.0 113.401 -169.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.9 t -59.62 144.62 47.22 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -178.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -141.97 145.74 34.82 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.69 2.396 . . . . 0.0 109.272 169.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.0 m -102.35 155.39 18.27 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.762 0.825 . . . . 0.0 112.596 174.018 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.5 m -144.39 155.85 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.114 1.766 . . . . 0.0 111.931 175.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -72.63 -20.28 61.3 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 . . . . . 0 N--CA 1.48 1.028 0 C-N-CA 125.996 1.718 . . . . 0.0 113.303 -170.468 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.7 p . . . . . 0 CA--C 1.544 0.735 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -140.51 109.55 6.1 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.802 1.241 . . . . 0.0 109.985 175.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.86 -39.81 78.65 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.715 1.206 . . . . 0.0 113.992 -168.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -61.86 -48.53 80.14 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.045 1.293 . . . . 0.0 112.342 175.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -62.94 -35.57 80.55 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.324 0.649 . . . . 0.0 111.408 175.629 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.6 t -63.34 -51.41 66.07 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.735 0.814 . . . . 0.0 112.456 171.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -58.25 -39.01 78.03 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.658 1.183 . . . . 0.0 112.854 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.94 -40.82 83.21 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.36 1.064 . . . . 0.0 111.962 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.5 m -65.81 -31.44 72.4 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.202 -0.936 . . . . 0.0 112.517 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.5 m -79.65 -30.14 41.17 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.032 0.933 . . . . 0.0 112.764 168.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -60.04 -35.51 75.27 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.604 1.093 . . . . 0.0 111.631 175.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 61.1 m -60.28 -27.77 67.54 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 169.607 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.8 mt -89.7 -17.5 28.2 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.081 1.353 . . . . 0.0 112.376 176.701 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.65 23.9 19.73 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.941 1.734 . . . . 0.0 113.407 -175.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.3 mt -126.4 164.6 20.74 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.185 1.794 . . . . 0.0 112.618 -170.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 mp -90.38 146.64 24.01 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.056 0.543 . . . . 0.0 109.787 169.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.47 149.34 18.91 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 123.469 0.557 . . . . 0.0 114.381 177.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.45 132.29 20.11 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.188 1.795 . . . . 0.0 109.846 169.391 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.6 t -78.66 114.97 18.05 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.75 0.705 . . . . 0.0 110.879 169.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.3 mt -136.18 115.89 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 125.788 1.635 . . . . 0.0 108.282 -175.517 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.23 35.79 63.85 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 119.523 -0.598 . . . . 0.0 113.042 -175.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 64.68 2.96 1.81 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 127.053 2.141 . . . . 0.0 116.375 -173.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -119.8 155.59 32.27 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.169 1.388 . . . . 0.0 111.572 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.0 t -81.04 110.67 16.79 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.98 0.912 . . . . 0.0 112.18 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -95.51 151.5 19.25 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.153 0.981 . . . . 0.0 109.699 167.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.0 m -116.36 145.75 42.98 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.129 0.572 . . . . 0.0 112.173 173.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.0 m -129.88 150.78 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.653 1.581 . . . . 0.0 111.708 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -71.32 -34.62 70.73 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -176.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.7 m120 . . . . . 0 C--O 1.249 1.058 0 C-N-CA 128.187 2.595 . . . . 0.0 110.301 175.213 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 40.9 t . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -119.73 97.29 5.56 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.664 1.585 . . . . 0.0 108.955 -177.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -58.5 -47.5 83.9 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.042 1.737 . . . . 0.0 113.887 -167.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -66.81 -38.0 85.64 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.545 0.738 . . . . 0.0 111.502 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -70.01 -43.71 70.8 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.872 1.669 . . . . 0.0 112.612 177.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.8 t -59.4 -39.5 83.62 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.103 1.361 . . . . 0.0 112.211 176.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -59.04 -37.84 77.93 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 173.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.8 mt -64.3 -45.26 88.74 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.718 1.145 . . . . 0.0 111.256 173.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.2 m -63.42 -33.24 75.12 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.123 0.969 . . . . 0.0 112.891 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.1 m -79.68 -34.93 39.87 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -59.86 -33.98 72.52 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 120.045 1.293 . . . . 0.0 112.069 174.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.0 m -61.58 -21.64 64.49 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.199 1.4 . . . . 0.0 114.533 170.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.4 mt -98.05 -26.19 14.69 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.53 1.132 . . . . 0.0 112.321 173.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.02 14.36 13.75 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 125.998 1.761 . . . . 0.0 114.684 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.1 mt -116.85 169.41 9.41 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.649 1.58 . . . . 0.0 112.589 -169.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.5 mt -95.96 129.38 43.24 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.979 1.312 . . . . 0.0 110.723 173.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.95 133.3 11.65 Favored Glycine 0 N--CA 1.471 1.002 0 CA-C-N 118.348 0.522 . . . . 0.0 113.595 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.28 142.91 49.56 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.333 1.053 . . . . 0.0 110.778 169.334 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.7 m -77.51 109.44 11.46 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 121.804 0.811 . . . . 0.0 110.391 167.447 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.6 mt -128.45 123.71 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.502 1.521 . . . . 0.0 108.193 -174.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.52 34.05 88.29 Favored Glycine 0 CA--C 1.539 1.544 0 O-C-N 121.754 -0.591 . . . . 0.0 114.199 -174.212 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 61.56 26.31 16.05 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.308 1.443 . . . . 0.0 113.927 -172.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -138.65 147.36 42.77 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.194 1.398 . . . . 0.0 112.105 -177.285 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.7 t -74.33 122.74 23.39 Favored 'General case' 0 C--O 1.242 0.71 0 O-C-N 121.61 -0.681 . . . . 0.0 111.167 175.589 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -134.46 135.34 42.42 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.767 1.227 . . . . 0.0 110.254 176.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.9 m -93.34 143.56 26.15 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 121.678 0.751 . . . . 0.0 112.504 177.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.8 m -148.28 177.57 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 126.581 1.952 . . . . 0.0 111.009 -174.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -100.06 -14.72 18.49 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -177.029 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 N--CA 1.482 1.169 0 C-N-CA 127.205 2.202 . . . . 0.0 112.408 179.441 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.582 0 CA-C-O 118.68 -0.676 . . . . 0.0 111.457 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -147.43 138.32 23.55 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.899 1.28 . . . . 0.0 111.567 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.15 163.77 7.71 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.462 1.505 . . . . 0.0 113.774 -178.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -89.52 84.47 6.38 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.147 1.779 . . . . 0.0 107.77 -176.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.4 tp -57.86 -47.19 83.44 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.329 1.052 . . . . 0.0 113.588 -169.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -56.38 -46.88 79.89 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.4 0.68 . . . . 0.0 112.204 175.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -65.32 -38.76 91.16 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.422 1.01 . . . . 0.0 112.444 174.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.9 t -66.11 -44.05 85.46 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.48 1.512 . . . . 0.0 112.559 177.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -60.67 -41.42 95.05 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.281 1.432 . . . . 0.0 111.852 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.88 -34.77 75.98 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.189 0.996 . . . . 0.0 112.496 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -62.43 -47.53 83.69 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.607 0.763 . . . . 0.0 111.471 173.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.4 m -71.91 -30.69 65.62 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.185 -0.947 . . . . 0.0 113.237 176.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -54.34 -41.1 68.67 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.204 1.002 . . . . 0.0 111.458 173.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.4 m -60.73 -28.08 68.41 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 176.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 mt -92.93 -9.36 40.35 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.32 1.448 . . . . 0.0 113.928 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.87 23.64 55.08 Favored Glycine 0 N--CA 1.469 0.88 0 C-N-CA 126.127 1.823 . . . . 0.0 112.682 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.1 mt -111.48 170.09 8.36 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.34 1.856 . . . . 0.0 110.319 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.3 mt -99.36 135.73 40.35 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 118.759 -0.639 . . . . 0.0 110.507 170.05 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.65 140.87 15.26 Favored Glycine 0 N--CA 1.47 0.923 0 C-N-CA 123.585 0.612 . . . . 0.0 114.074 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.19 143.98 34.52 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.466 1.507 . . . . 0.0 111.242 177.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.9 t -84.18 120.27 25.99 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 123.991 0.916 . . . . 0.0 111.595 172.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.8 mm -133.0 99.82 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.93 1.692 . . . . 0.0 109.501 -174.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.99 53.32 46.14 Favored Glycine 0 CA--C 1.537 1.454 0 O-C-N 121.006 -1.059 . . . . 0.0 114.413 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 62.55 14.74 7.31 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.398 1.879 . . . . 0.0 115.272 -174.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -128.34 136.79 51.44 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.291 1.837 . . . . 0.0 110.792 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 40.2 t -80.73 132.19 35.52 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.52 -0.738 . . . . 0.0 110.929 174.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -137.57 150.15 47.25 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.696 1.198 . . . . 0.0 110.967 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.5 m -113.97 152.41 30.91 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.185 0.994 . . . . 0.0 112.621 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.5 m -135.23 149.32 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 125.14 1.376 . . . . 0.0 112.09 173.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -63.03 -59.33 4.96 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -174.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 . . . . . 0 C--O 1.256 1.417 0 C-N-CA 128.369 2.668 . . . . 0.0 115.345 175.814 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -135.12 137.8 43.15 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.636 1.574 . . . . 0.0 110.694 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 t -81.63 151.1 27.78 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.98 1.312 . . . . 0.0 111.523 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -130.67 71.6 1.47 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.611 1.164 . . . . 0.0 110.285 169.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.42 ' HA ' ' HB3' ' A' ' 8' ' ' CYS . 6.9 tp -59.87 -38.0 80.93 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.721 -1.237 . . . . 0.0 113.214 -171.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -60.63 -36.22 78.12 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 118.613 -0.708 . . . . 0.0 112.907 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -72.89 -46.33 53.32 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.781 1.232 . . . . 0.0 110.948 168.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.42 ' HB3' ' HA ' ' A' ' 5' ' ' LEU . 52.9 t -55.11 -46.01 75.53 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.576 1.55 . . . . 0.0 113.006 -177.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.37 -40.71 87.38 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.463 1.105 . . . . 0.0 112.94 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.0 mt -70.45 -36.54 73.99 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.815 0.846 . . . . 0.0 112.106 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.2 t -62.81 -46.88 85.9 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.482 0.713 . . . . 0.0 112.083 -178.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 83.4 m -74.25 -23.8 59.19 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -56.03 -33.36 64.86 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.092 0.957 . . . . 0.0 112.542 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.9 m -66.11 -28.48 68.84 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 174.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.3 mt -86.93 -13.79 43.71 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.915 1.286 . . . . 0.0 113.829 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.25 19.67 45.06 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.948 1.261 . . . . 0.0 112.598 -172.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.0 mt -119.16 169.4 9.98 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.534 1.534 . . . . 0.0 111.661 -173.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.5 mt -97.17 143.04 28.37 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.908 0.883 . . . . 0.0 110.246 171.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.53 132.17 11.1 Favored Glycine 0 N--CA 1.47 0.95 0 CA-C-O 119.408 -0.662 . . . . 0.0 112.877 174.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -138.79 142.51 38.75 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 128.465 2.706 . . . . 0.0 111.719 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.8 m -94.49 130.26 40.95 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.876 -0.515 . . . . 0.0 112.341 171.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.3 mt -140.26 134.8 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 126.4 1.88 . . . . 0.0 108.244 177.491 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.31 24.23 65.29 Favored Glycine 0 CA--C 1.544 1.855 0 O-C-N 121.178 -0.951 . . . . 0.0 114.597 -170.173 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.255 40.1 mt-10 68.11 22.32 8.39 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.246 1.818 . . . . 0.0 115.017 -173.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -140.36 152.71 46.0 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.062 1.345 . . . . 0.0 112.075 172.452 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 40.2 t -73.23 142.66 47.29 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.866 1.666 . . . . 0.0 114.833 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -149.06 161.69 41.43 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 127.711 2.404 . . . . 0.0 110.321 166.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.3 m -94.55 151.39 19.37 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.8 m -136.06 153.84 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.899 1.68 . . . . 0.0 110.958 176.377 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -74.26 -34.6 63.65 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -172.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 C--O 1.248 1.001 0 C-N-CA 125.744 1.618 . . . . 0.0 112.209 176.498 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -153.6 138.81 17.44 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 119.344 0.974 . . . . 0.0 110.24 -176.171 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.5 t -119.98 141.45 49.66 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.307 1.843 . . . . 0.0 112.442 -173.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -105.87 87.87 2.68 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.225 1.41 . . . . 0.0 109.347 -175.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -47.34 -48.68 25.39 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 126.87 2.068 . . . . 0.0 114.16 -175.383 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -65.29 -44.85 86.65 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.411 0.684 . . . . 0.0 111.799 -178.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -68.43 -35.69 77.99 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 121.607 -0.683 . . . . 0.0 111.486 176.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.01 -48.11 81.76 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.421 1.489 . . . . 0.0 111.556 172.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -55.6 -51.23 67.86 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.959 1.303 . . . . 0.0 111.997 174.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.62 -33.55 75.86 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.494 1.043 . . . . 0.0 112.546 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.0 m -68.8 -42.97 76.58 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.493 0.717 . . . . 0.0 111.93 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.4 m -71.18 -32.39 68.83 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.541 0.736 . . . . 0.0 112.606 174.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -59.25 -32.17 69.74 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.375 1.47 . . . . 0.0 112.555 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.9 m -60.69 -31.53 70.79 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.379 1.072 . . . . 0.0 112.843 171.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.8 mt -85.6 -18.1 34.29 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.079 1.351 . . . . 0.0 112.912 170.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.77 -8.17 57.91 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 127.072 2.272 . . . . 0.0 112.672 -173.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.7 mt -81.52 165.55 21.08 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.438 1.095 . . . . 0.0 111.69 -178.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 mp -91.43 159.15 16.11 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 168.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.59 139.75 15.68 Favored Glycine 0 N--CA 1.471 1.029 0 C-N-CA 124.441 1.02 . . . . 0.0 112.823 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -140.29 146.33 38.4 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 127.151 2.181 . . . . 0.0 111.85 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.8 m -91.8 109.83 21.16 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.303 0.641 . . . . 0.0 110.75 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.1 mm -121.92 107.51 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.989 1.316 . . . . 0.0 109.634 -174.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.44 42.32 93.85 Favored Glycine 0 CA--C 1.536 1.365 0 O-C-N 121.846 -0.534 . . . . 0.0 112.769 -174.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 61.36 23.27 13.54 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.517 1.927 . . . . 0.0 115.669 -176.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -134.39 137.92 44.44 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.883 1.673 . . . . 0.0 111.763 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.3 t -66.22 130.29 42.71 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.325 1.05 . . . . 0.0 112.13 176.399 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -135.28 144.89 47.03 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.609 1.564 . . . . 0.0 109.901 170.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.6 m -91.48 150.2 21.33 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.6 m -139.45 151.61 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.512 1.525 . . . . 0.0 111.451 -177.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -85.8 -25.76 26.14 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -173.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 . . . . . 0 C--O 1.25 1.115 0 C-N-CA 125.424 1.489 . . . . 0.0 114.3 -169.538 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 119.086 -0.483 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -140.84 155.75 46.28 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.348 1.459 . . . . 0.0 110.912 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.0 p -114.74 171.91 7.36 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.308 1.043 . . . . 0.0 113.7 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -142.13 105.69 4.67 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 124.978 1.311 . . . . 0.0 110.076 168.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.96 -41.8 83.67 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.048 1.339 . . . . 0.0 110.927 -178.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -50.9 69.48 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.961 0.904 . . . . 0.0 112.398 173.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -69.2 -33.63 73.65 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 119.216 0.917 . . . . 0.0 112.866 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.8 t -65.95 -39.97 90.93 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.204 1.001 . . . . 0.0 112.132 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -59.74 -44.77 93.66 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 120.753 -1.217 . . . . 0.0 112.929 170.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.74 -41.25 97.4 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.97 0.804 . . . . 0.0 111.232 175.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.8 m -60.45 -49.12 78.82 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 122.717 0.407 . . . . 0.0 111.497 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.5 m -69.57 -25.92 64.23 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -57.29 -30.51 64.79 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.401 1.081 . . . . 0.0 112.188 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.4 p -63.2 -31.73 72.95 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 175.701 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.2 mt -90.35 -10.45 43.99 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.949 2.1 . . . . 0.0 111.852 173.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.26 17.0 70.23 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 125.209 1.385 . . . . 0.0 113.212 -175.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.6 mt -105.22 171.11 7.49 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.771 1.628 . . . . 0.0 113.479 -172.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.3 mt -106.08 128.34 53.81 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.494 1.518 . . . . 0.0 110.914 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.05 132.11 11.09 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-O 119.235 -0.758 . . . . 0.0 112.784 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -133.99 125.29 27.86 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.867 1.267 . . . . 0.0 112.085 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.2 t -89.07 140.83 29.05 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 176.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.7 mt -125.82 115.63 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 126.387 1.875 . . . . 0.0 108.098 167.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.76 -79.59 0.13 Allowed Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.153 1.359 . . . . 0.0 112.459 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -146.48 -3.26 0.64 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.866 2.067 . . . . 0.0 114.169 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -106.51 135.52 47.88 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.029 1.332 . . . . 0.0 109.916 175.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.9 t -127.16 134.27 50.2 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.386 0.674 . . . . 0.0 111.158 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -131.44 157.89 42.28 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.578 1.151 . . . . 0.0 112.442 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.0 m -85.68 146.65 26.74 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.029 0.932 . . . . 0.0 111.612 173.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.2 m -140.85 161.78 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 126.144 1.778 . . . . 0.0 110.74 172.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -77.91 -27.67 49.57 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 177.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 20.1 t-20 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 117.306 -1.33 . . . . 0.0 112.955 -170.525 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.823 0 CA-C-O 120.618 0.246 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -130.33 159.45 36.92 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.814 1.646 . . . . 0.0 110.567 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.7 p -98.66 154.47 17.93 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -176.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -138.6 106.38 5.64 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.796 2.038 . . . . 0.0 106.777 173.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.06 -43.84 70.58 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.818 1.247 . . . . 0.0 113.251 -168.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -63.08 -41.55 99.45 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.91 0.884 . . . . 0.0 112.024 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.87 -31.8 69.81 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 121.128 -0.982 . . . . 0.0 112.746 172.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.3 t -64.08 -49.05 73.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.963 0.905 . . . . 0.0 112.481 171.415 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.47 -49.12 68.11 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.0 0.92 . . . . 0.0 112.349 170.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.06 -33.43 74.37 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.067 0.848 . . . . 0.0 112.556 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.3 m -71.6 -37.35 70.97 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.83 0.452 . . . . 0.0 112.213 177.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 63.9 m -74.38 -29.15 61.42 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.053 0.941 . . . . 0.0 112.936 172.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -56.4 -40.14 74.17 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.956 1.702 . . . . 0.0 112.31 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.9 m -68.12 -27.41 66.43 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.5 mt -80.35 -18.97 47.54 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.777 1.231 . . . . 0.0 113.253 173.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.8 9.95 60.59 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 126.868 2.175 . . . . 0.0 113.275 -175.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.9 mt -107.99 163.83 12.8 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.99 1.716 . . . . 0.0 111.803 -171.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.1 mt -93.21 142.14 27.64 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.971 0.908 . . . . 0.0 110.511 173.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.72 146.22 16.04 Favored Glycine 0 CA--C 1.536 1.386 0 N-CA-C 115.594 0.997 . . . . 0.0 115.594 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.84 150.09 33.52 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.661 1.985 . . . . 0.0 109.844 168.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.5 t -85.92 140.54 30.27 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.816 -0.552 . . . . 0.0 109.785 168.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.8 mm -111.89 -41.53 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -175.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.42 77.34 0.16 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 126.391 1.948 . . . . 0.0 111.834 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 59.94 6.12 0.87 Allowed 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -172.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -140.46 145.68 37.26 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.066 1.746 . . . . 0.0 111.956 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.6 t -73.71 141.21 46.4 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.739 1.615 . . . . 0.0 113.102 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -132.48 135.02 45.74 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.839 1.655 . . . . 0.0 109.547 169.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.6 m -94.71 151.05 19.59 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.319 0.648 . . . . 0.0 112.119 170.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.2 m -138.39 155.23 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 126.224 1.81 . . . . 0.0 111.083 174.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -74.89 -40.1 61.12 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.08 1.752 . . . . 0.0 111.134 -172.21 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -151.13 139.56 20.45 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.952 1.701 . . . . 0.0 108.057 178.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.1 t -154.32 148.77 26.19 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 171.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -137.03 121.55 18.35 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 127.495 2.318 . . . . 0.0 105.528 171.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -52.45 -52.14 55.61 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.642 1.577 . . . . 0.0 114.654 -167.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -67.48 -36.19 80.63 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -68.32 -33.57 74.56 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.681 1.128 . . . . 0.0 112.37 171.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.5 t -64.96 -44.95 87.73 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.946 0.898 . . . . 0.0 111.924 169.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -54.54 -46.37 73.59 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.103 -0.998 . . . . 0.0 112.863 172.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.1 mt -73.8 -19.32 60.8 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.9 m -78.16 -38.32 43.87 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.119 0.968 . . . . 0.0 112.11 171.32 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.3 m -75.01 -29.3 60.8 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.225 1.01 . . . . 0.0 112.741 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.0 tpp85 -57.81 -32.81 67.94 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.79 0.723 . . . . 0.0 112.111 173.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.7 m -57.34 -28.21 62.92 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.327 0.967 . . . . 0.0 113.043 171.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.3 mt -94.94 -9.19 34.83 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.215 1.806 . . . . 0.0 114.106 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.01 23.69 37.42 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.093 1.33 . . . . 0.0 112.677 -176.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.2 mt -123.39 167.96 13.15 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.318 1.847 . . . . 0.0 111.483 -169.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -104.93 142.1 35.36 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.052 1.341 . . . . 0.0 109.579 174.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.54 142.92 16.42 Favored Glycine 0 N--CA 1.47 0.925 0 C-N-CA 123.458 0.552 . . . . 0.0 114.388 -174.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.82 136.93 36.15 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.222 1.409 . . . . 0.0 109.732 169.768 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.8 m -82.1 125.25 30.63 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.725 0.41 . . . . 0.0 110.178 169.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 27.8 mm -128.74 104.0 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 125.166 1.386 . . . . 0.0 107.821 -177.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.41 38.48 93.51 Favored Glycine 0 CA--C 1.537 1.409 0 O-C-N 121.221 -0.924 . . . . 0.0 112.908 -175.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.258 43.4 mt-10 60.51 19.01 8.82 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 127.276 2.23 . . . . 0.0 116.013 -171.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -105.85 130.25 53.86 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.446 -1.408 . . . . 0.0 109.952 168.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.5 t -73.46 127.33 32.4 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 121.724 -0.61 . . . . 0.0 110.676 173.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -131.29 152.11 50.86 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.113 1.365 . . . . 0.0 111.141 173.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.6 m -122.84 127.31 48.88 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -169.41 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.4 m -111.55 150.15 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.296 1.439 . . . . 0.0 110.755 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -63.91 -38.5 91.31 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.231 -0.918 . . . . 0.0 112.699 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.287 0 C-N-CA 127.005 2.122 . . . . 0.0 111.685 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -130.29 163.52 26.6 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.157 2.183 . . . . 0.0 109.12 174.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.3 m -63.11 152.39 37.36 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 173.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -129.6 68.78 1.42 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.996 1.718 . . . . 0.0 107.387 169.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -48.82 -47.38 42.43 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -168.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -68.33 -38.91 81.99 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -62.25 -40.23 95.48 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.607 1.094 . . . . 0.0 111.202 170.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.6 t -63.64 -45.73 88.88 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.061 0.944 . . . . 0.0 112.521 174.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.91 -41.3 82.39 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.662 1.185 . . . . 0.0 112.632 174.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.0 mt -69.28 -33.47 73.26 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.198 0.999 . . . . 0.0 112.343 174.195 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.3 t -67.81 -53.97 22.81 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.525 1.13 . . . . 0.0 111.61 176.337 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.4 m -61.23 -30.51 70.49 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.559 -0.713 . . . . 0.0 112.431 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -61.04 -32.64 72.26 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.083 0.953 . . . . 0.0 113.204 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.2 t -67.34 -34.32 77.09 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 171.313 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 mt -77.41 -14.69 59.65 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 125.029 1.332 . . . . 0.0 113.678 176.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.16 27.65 11.88 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 126.292 1.901 . . . . 0.0 113.184 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.7 mt -133.15 -177.33 4.47 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.057 2.143 . . . . 0.0 112.087 -170.691 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.9 mt -123.87 146.17 48.59 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.914 2.086 . . . . 0.0 111.042 174.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.52 138.45 14.18 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.898 0.761 . . . . 0.0 114.454 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.71 133.86 27.73 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.371 1.469 . . . . 0.0 112.225 170.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.9 t -73.06 126.91 31.08 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.156 0.982 . . . . 0.0 110.922 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.3 mt -145.72 107.03 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 127.104 2.161 . . . . 0.0 108.419 -176.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.57 38.09 44.73 Favored Glycine 0 CA--C 1.539 1.537 0 N-CA-C 115.578 0.991 . . . . 0.0 115.578 173.51 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 58.28 30.3 19.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.394 1.878 . . . . 0.0 113.548 -173.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -142.6 166.56 24.34 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 129.706 3.203 . . . . 0.0 107.539 170.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.8 t -122.16 136.21 54.88 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 120.853 -1.154 . . . . 0.0 112.745 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -114.27 148.57 37.25 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.59 1.556 . . . . 0.0 111.685 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 57.5 m -97.88 131.45 44.35 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.819 0.848 . . . . 0.0 111.598 171.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.5 m -141.12 167.64 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.728 1.611 . . . . 0.0 111.007 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -80.03 -31.77 39.57 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 175.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.828 1.651 . . . . 0.0 113.009 179.865 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -137.75 10.52 2.89 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.8 t -137.65 153.52 49.83 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -167.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -134.13 126.71 30.58 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.47 1.908 . . . . 0.0 108.008 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -53.49 -53.05 56.97 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 125.381 1.472 . . . . 0.0 114.041 -169.071 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -64.81 -41.17 96.0 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.551 0.614 . . . . 0.0 112.432 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.3 tpp180 -58.26 -40.22 81.28 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.239 1.016 . . . . 0.0 111.869 172.437 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.6 t -71.39 -42.3 68.54 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.578 1.151 . . . . 0.0 112.802 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.72 -41.48 90.96 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 120.891 -1.13 . . . . 0.0 112.471 173.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.8 mt -67.84 -34.92 77.67 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.682 0.793 . . . . 0.0 112.162 173.079 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.4 t -65.38 -48.87 71.41 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.348 1.059 . . . . 0.0 111.369 176.448 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.1 m -71.07 -30.11 66.15 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.564 0.746 . . . . 0.0 112.685 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -56.21 -38.19 70.69 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.382 0.992 . . . . 0.0 112.415 173.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.1 m -66.09 -16.56 64.04 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 173.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.8 mt -98.06 -13.5 21.0 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.485 1.514 . . . . 0.0 112.61 171.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.87 17.76 46.7 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.159 1.362 . . . . 0.0 113.636 -175.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 mt -120.06 168.52 11.09 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.481 1.913 . . . . 0.0 111.48 -173.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.2 mt -94.23 158.26 15.67 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.486 -0.759 . . . . 0.0 109.56 169.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.28 142.84 17.3 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-N 118.926 0.785 . . . . 0.0 114.561 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.77 148.04 38.31 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.964 1.305 . . . . 0.0 111.842 169.423 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.4 m -83.87 56.33 3.63 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.338 1.055 . . . . 0.0 112.621 176.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.4 mt -66.3 119.53 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.9 1.28 . . . . 0.0 109.747 -177.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.83 16.72 78.1 Favored Glycine 0 CA--C 1.541 1.699 0 O-C-N 121.546 -0.721 . . . . 0.0 114.637 -170.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 65.83 28.75 10.74 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.682 1.993 . . . . 0.0 113.621 -170.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -133.43 142.9 48.55 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 126.778 2.031 . . . . 0.0 109.349 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 52.3 t -73.52 121.51 20.72 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 121.162 -0.961 . . . . 0.0 111.825 -177.495 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -131.37 144.42 51.21 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.695 1.598 . . . . 0.0 109.732 168.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.1 m -92.5 150.51 20.72 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.258 0.551 . . . . 0.0 111.773 176.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.42 149.26 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.683 1.593 . . . . 0.0 110.642 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -84.83 -21.2 29.95 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -169.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.254 1.29 0 C-N-CA 126.215 1.806 . . . . 0.0 113.31 -175.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 120.454 0.168 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -132.3 154.49 49.64 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.285 1.834 . . . . 0.0 110.76 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.9 t -134.07 164.91 26.28 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.829 1.652 . . . . 0.0 111.331 -169.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -129.42 105.09 7.87 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.341 1.857 . . . . 0.0 108.898 -177.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.38 -60.01 4.53 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.352 1.461 . . . . 0.0 114.571 -168.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -57.82 -42.28 83.98 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.708 0.803 . . . . 0.0 111.438 174.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -60.22 -44.74 94.91 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.995 0.816 . . . . 0.0 111.801 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.1 t -59.36 -49.76 76.59 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.729 1.212 . . . . 0.0 111.456 172.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -58.15 -44.05 87.68 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.84 -37.86 82.43 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.622 0.769 . . . . 0.0 112.144 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.8 t -65.85 -43.13 89.41 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.054 0.542 . . . . 0.0 112.177 175.608 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.2 m -65.89 -28.87 69.27 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.385 -0.822 . . . . 0.0 112.972 173.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -58.1 -35.39 71.36 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.092 0.86 . . . . 0.0 112.46 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.1 m -66.05 -29.34 69.67 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.128 0.971 . . . . 0.0 113.332 174.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.6 mt -79.52 -16.4 56.06 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.17 0.988 . . . . 0.0 112.549 174.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.51 19.19 35.88 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 125.507 1.527 . . . . 0.0 112.504 -174.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.7 mt -116.63 178.56 4.29 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.48 1.512 . . . . 0.0 112.516 -171.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.4 mt -98.23 166.53 11.36 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.521 1.928 . . . . 0.0 108.201 167.053 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.12 159.48 27.45 Favored Glycine 0 N--CA 1.47 0.936 0 CA-C-N 119.229 0.922 . . . . 0.0 114.139 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -163.33 147.42 10.83 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.378 -1.072 . . . . 0.0 112.171 -177.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.1 m -88.15 121.37 30.47 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 167.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.7 mt -88.5 55.87 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.53 1.132 . . . . 0.0 108.292 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.74 -69.65 0.57 Allowed Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.891 1.71 . . . . 0.0 113.717 -171.142 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -94.26 -26.39 16.64 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.624 1.57 . . . . 0.0 114.325 -172.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -145.25 145.61 31.35 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -171.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.9 t -68.65 147.98 51.11 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.709 1.604 . . . . 0.0 111.999 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -148.82 138.83 22.2 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.149 1.38 . . . . 0.0 110.038 168.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.6 m -91.77 145.59 24.45 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 122.579 0.352 . . . . 0.0 111.48 174.095 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.4 m -140.18 158.05 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.91 1.284 . . . . 0.0 111.306 -175.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -87.41 -36.55 17.68 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -172.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.1 m120 . . . . . 0 N--CA 1.481 1.093 0 C-N-CA 124.992 1.317 . . . . 0.0 113.952 -168.949 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 111.466 0.172 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -136.98 160.34 39.21 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.944 1.698 . . . . 0.0 110.824 175.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.1 t -145.14 156.23 43.76 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.226 1.01 . . . . 0.0 111.319 175.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -132.18 112.58 12.4 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.79 1.636 . . . . 0.0 108.383 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -52.36 -48.61 65.45 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.34 1.856 . . . . 0.0 114.301 -174.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -63.94 -45.38 89.46 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.494 0.718 . . . . 0.0 111.907 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -58.35 -39.53 79.79 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.732 0.813 . . . . 0.0 111.082 176.413 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.76 -49.73 60.91 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.966 1.307 . . . . 0.0 113.035 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -54.36 -39.26 66.98 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.267 1.027 . . . . 0.0 112.36 174.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.8 mt -68.76 -44.6 73.37 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.584 0.753 . . . . 0.0 111.74 174.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.3 t -60.6 -43.71 97.11 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.951 0.796 . . . . 0.0 112.344 178.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.3 m -68.44 -25.89 65.23 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.796 0.839 . . . . 0.0 113.132 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -62.4 -31.74 72.47 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.123 -0.986 . . . . 0.0 113.144 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.4 m -70.63 -18.0 62.87 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 172.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.0 mt -90.05 -11.05 42.59 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.049 1.34 . . . . 0.0 112.418 170.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.55 21.55 56.02 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.162 1.363 . . . . 0.0 112.423 -174.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.8 mt -116.38 172.13 7.39 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.002 1.721 . . . . 0.0 112.337 -172.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.0 mt -102.34 153.9 19.57 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.613 1.565 . . . . 0.0 109.882 169.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.34 141.97 16.46 Favored Glycine 0 CA--C 1.535 1.294 0 N-CA-C 114.876 0.71 . . . . 0.0 114.876 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -135.27 144.73 46.97 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 127.057 2.143 . . . . 0.0 110.785 168.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.0 m -88.57 116.83 27.09 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.81 -0.556 . . . . 0.0 111.073 171.26 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.6 mt -140.33 127.79 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.482 1.113 . . . . 0.0 109.256 -172.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.29 40.32 91.66 Favored Glycine 0 CA--C 1.534 1.233 0 O-C-N 121.333 -0.855 . . . . 0.0 112.299 -177.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 60.36 15.28 5.32 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.283 1.833 . . . . 0.0 115.02 -176.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -125.03 145.71 49.77 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.384 1.474 . . . . 0.0 111.029 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.9 t -69.94 126.91 31.09 Favored 'General case' 0 C--O 1.237 0.443 0 O-C-N 121.236 -0.915 . . . . 0.0 110.241 169.167 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -129.56 135.54 48.71 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.963 1.305 . . . . 0.0 110.353 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.8 m -100.4 144.19 29.7 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.611 0.764 . . . . 0.0 111.738 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.4 m -140.43 156.51 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 125.995 1.718 . . . . 0.0 110.339 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -70.22 -40.02 74.77 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.281 -0.887 . . . . 0.0 111.043 169.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 . . . . . 0 C--O 1.254 1.292 0 C-N-CA 129.713 3.205 . . . . 0.0 109.017 177.919 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -136.47 119.86 16.89 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.862 0.865 . . . . 0.0 110.773 175.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.3 p -76.44 161.34 28.74 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.579 0.752 . . . . 0.0 112.327 174.618 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -137.49 76.56 1.59 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.308 1.043 . . . . 0.0 108.592 -177.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.81 -49.9 14.65 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.258 1.823 . . . . 0.0 113.63 -168.317 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -69.03 -41.32 77.84 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 178.098 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -65.35 -34.09 77.51 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 120.373 1.442 . . . . 0.0 111.867 173.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.0 m -70.25 -38.18 75.08 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.879 2.472 . . . . 0.0 113.577 176.186 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -56.5 -34.26 66.8 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 120.908 -1.12 . . . . 0.0 112.373 171.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.6 mt -71.64 -29.03 64.18 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.795 0.838 . . . . 0.0 113.118 172.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.6 m -65.79 -42.98 90.06 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.08 0.855 . . . . 0.0 110.802 171.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.6 m -72.57 -35.04 67.86 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.16 0.584 . . . . 0.0 112.42 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -55.96 -30.72 62.16 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.976 1.31 . . . . 0.0 112.854 174.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.6 m -58.38 -37.58 75.57 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.289 1.036 . . . . 0.0 112.171 175.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.6 mt -90.93 -18.33 24.9 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.946 1.699 . . . . 0.0 113.234 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.56 22.45 24.02 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 125.167 1.365 . . . . 0.0 113.182 -173.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.7 mt -108.98 173.68 6.21 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.414 1.885 . . . . 0.0 111.707 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.3 mt -110.2 146.48 35.49 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.775 1.63 . . . . 0.0 110.317 172.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.62 136.84 12.91 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 123.85 0.738 . . . . 0.0 113.99 177.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -133.59 143.7 48.83 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.071 1.748 . . . . 0.0 110.51 169.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.5 t -87.04 134.26 33.51 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.442 1.019 . . . . 0.0 113.178 176.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.6 mt -141.63 120.87 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 125.963 1.705 . . . . 0.0 109.908 174.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.45 40.68 97.98 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.141 -0.975 . . . . 0.0 115.122 169.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 69.06 28.15 5.14 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.597 1.559 . . . . 0.0 115.081 -176.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -147.32 147.13 30.03 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.482 1.913 . . . . 0.0 110.701 174.727 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.7 m -89.82 132.76 35.08 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 120.899 -1.125 . . . . 0.0 112.885 172.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -109.77 138.11 46.61 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.391 1.876 . . . . 0.0 110.884 172.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.9 m -95.68 140.76 30.04 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.23 0.612 . . . . 0.0 112.384 173.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.9 m -143.19 159.81 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.308 1.443 . . . . 0.0 112.257 -178.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -78.95 -40.57 31.55 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 121.289 -0.882 . . . . 0.0 111.887 169.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.0 m120 . . . . . 0 C--O 1.254 1.311 0 C-N-CA 128.717 2.807 . . . . 0.0 110.27 -175.669 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.757 0 CA-C-O 120.26 0.076 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -81.01 17.26 1.25 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.654 1.982 . . . . 0.0 113.052 -175.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p -77.57 157.27 30.4 Favored 'General case' 0 CA--C 1.549 0.933 0 O-C-N 120.811 -1.181 . . . . 0.0 111.524 176.516 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -126.55 92.6 3.59 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.342 -1.474 . . . . 0.0 109.432 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.08 -42.89 86.57 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.313 -0.867 . . . . 0.0 112.289 -170.069 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -55.31 -41.65 72.67 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.667 0.787 . . . . 0.0 112.61 177.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -75.71 -39.46 57.35 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.222 1.409 . . . . 0.0 112.484 175.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.7 t -56.26 -40.03 73.54 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.775 0.83 . . . . 0.0 112.001 175.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -56.8 -49.9 73.94 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 170.713 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.68 -39.56 94.62 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.038 0.935 . . . . 0.0 111.058 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.0 t -66.43 -43.61 85.18 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.395 1.078 . . . . 0.0 112.302 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 93.9 m -70.38 -26.95 63.95 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 173.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -67.6 -24.78 65.52 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.775 -1.203 . . . . 0.0 112.931 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 m -64.2 -36.95 85.74 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.934 0.788 . . . . 0.0 111.494 168.691 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.6 mt -75.05 -11.12 60.03 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.11 1.364 . . . . 0.0 112.964 169.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.77 19.82 49.89 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 126.96 2.219 . . . . 0.0 113.467 177.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.3 mt -119.13 169.13 10.2 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.008 1.723 . . . . 0.0 113.158 -168.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 mp -82.66 148.09 28.14 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 168.071 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.99 137.87 13.84 Favored Glycine 0 N--CA 1.472 1.081 0 CA-C-N 118.816 0.735 . . . . 0.0 112.685 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.12 151.33 40.6 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.05 1.74 . . . . 0.0 111.534 176.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.9 t -85.9 128.01 34.73 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 122.668 0.387 . . . . 0.0 110.833 172.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.4 mt -127.89 108.75 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 124.376 1.07 . . . . 0.0 109.102 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.11 -92.87 0.57 Allowed Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 -170.402 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -138.88 17.51 2.66 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.728 1.611 . . . . 0.0 114.034 -171.663 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -147.5 159.94 43.17 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.028 1.331 . . . . 0.0 112.151 -176.129 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 43.3 t -80.45 137.27 36.46 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 121.542 0.687 . . . . 0.0 111.497 173.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -138.63 152.21 47.91 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.705 2.002 . . . . 0.0 110.507 173.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.5 m -115.41 140.19 49.36 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.601 0.76 . . . . 0.0 112.622 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.43 159.08 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.721 1.608 . . . . 0.0 111.974 -173.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -88.05 -21.77 24.57 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -178.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 t30 . . . . . 0 C--O 1.259 1.57 0 C-N-CA 128.581 2.753 . . . . 0.0 111.374 172.156 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 119.308 -0.377 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -136.08 22.51 3.27 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 -169.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.6 p -89.17 144.37 26.16 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.241 -1.537 . . . . 0.0 111.771 169.06 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -137.97 104.27 5.21 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 169.347 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.45 -48.91 77.9 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -168.144 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -65.61 -39.92 92.05 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 121.665 -0.647 . . . . 0.0 111.8 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -62.94 -41.4 99.48 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.084 0.953 . . . . 0.0 112.224 170.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.37 -41.98 99.05 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.197 0.999 . . . . 0.0 111.824 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -60.31 -45.06 94.72 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.372 -0.83 . . . . 0.0 112.447 172.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.9 mt -67.04 -38.21 85.47 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.401 1.001 . . . . 0.0 112.797 177.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.5 t -67.76 -48.74 65.53 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.553 1.541 . . . . 0.0 111.664 178.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.0 m -67.69 -28.75 67.95 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.16 -0.962 . . . . 0.0 112.564 174.602 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -59.13 -34.9 72.58 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.863 1.21 . . . . 0.0 112.061 174.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.7 m -69.93 -15.92 63.13 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 172.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.7 mt -94.31 -12.57 27.77 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.127 1.371 . . . . 0.0 112.532 169.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.88 18.61 50.45 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.621 1.581 . . . . 0.0 113.46 -175.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.4 mt -116.15 171.91 7.51 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.651 1.58 . . . . 0.0 113.39 -170.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.0 mt -99.55 124.09 44.42 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.031 1.333 . . . . 0.0 109.866 174.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.97 144.3 19.35 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-N 118.523 0.601 . . . . 0.0 113.725 177.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.89 150.2 34.76 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.519 1.928 . . . . 0.0 111.471 173.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.8 t -81.49 118.99 23.18 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.03 0.832 . . . . 0.0 109.104 166.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.3 mt -142.91 131.38 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.496 1.518 . . . . 0.0 108.789 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.22 39.75 96.38 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 123.855 0.741 . . . . 0.0 113.298 -178.477 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 57.42 16.93 3.48 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 -171.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -130.26 161.35 31.42 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.318 1.847 . . . . 0.0 111.902 -177.798 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.2 t -71.73 132.89 45.16 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.783 -1.198 . . . . 0.0 109.214 167.512 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -128.22 128.79 45.37 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.836 1.254 . . . . 0.0 109.711 170.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.9 m -89.23 143.54 26.76 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 123.584 0.552 . . . . 0.0 110.15 169.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.8 m -134.09 154.83 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 124.984 1.313 . . . . 0.0 110.58 174.075 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -75.5 -41.69 54.74 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 122.981 0.512 . . . . 0.0 111.796 175.402 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.255 1.342 0 C-N-CA 129.821 3.248 . . . . 0.0 110.77 173.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -132.04 113.73 13.72 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 119.947 1.249 . . . . 0.0 112.193 -167.67 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.9 p -90.71 163.5 14.48 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.379 0.671 . . . . 0.0 111.69 170.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -126.37 88.03 2.77 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.012 1.325 . . . . 0.0 108.392 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -42.84 68.59 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.314 1.046 . . . . 0.0 111.758 -178.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.49 ' HA ' ' HE ' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -61.9 -49.93 74.23 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.33 0.652 . . . . 0.0 111.979 176.542 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -64.45 -36.9 85.67 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.185 0.448 . . . . 0.0 111.312 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.8 t -62.59 -47.71 82.62 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.243 1.417 . . . . 0.0 111.676 175.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -55.1 -49.29 72.09 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.171 -0.956 . . . . 0.0 112.177 172.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.12 -28.83 64.58 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.324 0.649 . . . . 0.0 112.418 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.1 m -68.78 -43.07 76.47 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.148 0.979 . . . . 0.0 111.248 172.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.6 m -67.74 -31.44 71.36 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.444 -0.785 . . . . 0.0 112.228 172.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -60.24 -31.89 70.62 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.642 1.177 . . . . 0.0 113.249 176.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.9 t -66.14 -34.57 78.35 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.182 0.993 . . . . 0.0 112.761 171.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.8 mt -76.33 -26.35 55.67 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.109 0.964 . . . . 0.0 112.041 170.796 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.85 22.92 26.87 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 125.654 1.597 . . . . 0.0 112.809 -173.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.1 mt -110.58 169.28 8.86 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.938 2.095 . . . . 0.0 110.538 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.6 mt -93.19 152.94 18.91 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 118.419 -0.8 . . . . 0.0 109.698 168.376 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.54 142.37 16.83 Favored Glycine 0 N--CA 1.474 1.172 0 CA-C-N 119.079 0.854 . . . . 0.0 114.594 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -138.45 144.13 39.98 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 128.231 2.612 . . . . 0.0 111.085 -178.157 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.5 t -89.77 130.73 35.99 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.354 0.525 . . . . 0.0 109.788 167.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.8 mt -139.82 116.97 10.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 125.068 1.347 . . . . 0.0 107.992 176.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.64 56.23 25.74 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 124.278 0.942 . . . . 0.0 113.451 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 56.91 22.03 6.75 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.186 2.194 . . . . 0.0 114.471 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -143.78 141.83 30.61 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.735 -1.228 . . . . 0.0 113.244 -173.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 46.3 t -74.61 135.88 42.02 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.428 1.091 . . . . 0.0 113.056 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -136.94 138.87 41.08 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.535 1.534 . . . . 0.0 110.752 169.071 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.8 m -94.9 156.6 16.27 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.439 0.695 . . . . 0.0 112.808 174.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.9 m -136.33 143.94 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.675 1.59 . . . . 0.0 111.061 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -79.49 23.53 0.4 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.577 1.951 . . . . 0.0 116.213 -169.219 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.0 m120 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 125.014 1.326 . . . . 0.0 113.862 -174.122 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.609 0 CA-C-O 119.29 -0.385 . . . . 0.0 112.019 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -146.46 140.72 26.45 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.623 1.169 . . . . 0.0 111.821 -170.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.5 t -91.92 145.72 24.32 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.356 1.062 . . . . 0.0 112.523 176.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -145.64 75.13 1.41 Allowed 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 169.171 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.65 -45.61 91.5 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.53 1.132 . . . . 0.0 113.194 -167.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -62.51 -42.9 99.82 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.327 -0.858 . . . . 0.0 112.603 173.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -62.11 -38.13 87.73 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.035 0.834 . . . . 0.0 111.205 174.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.8 t -63.42 -49.42 73.82 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.283 1.433 . . . . 0.0 111.045 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.433 ' HG2' ' H ' ' A' ' 19' ' ' GLY . 16.3 mt-10 -58.53 -45.44 88.85 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 120.295 -1.503 . . . . 0.0 113.287 173.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.43 -19.76 65.42 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.928 0.891 . . . . 0.0 112.515 177.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.3 m -78.3 -48.41 15.71 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.156 0.982 . . . . 0.0 110.941 168.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.6 m -67.14 -25.61 66.26 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.04 0.936 . . . . 0.0 113.429 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -61.94 -28.85 69.83 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.335 1.054 . . . . 0.0 112.816 174.674 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.3 t -64.6 -43.89 92.37 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.065 0.946 . . . . 0.0 111.282 169.238 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.3 mt -70.19 -20.86 63.09 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.384 1.074 . . . . 0.0 112.827 178.372 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.14 20.6 27.46 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.299 1.428 . . . . 0.0 113.329 -176.462 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.0 mt -120.38 -172.64 2.4 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.545 1.938 . . . . 0.0 112.087 -171.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.1 mt -111.35 166.39 11.15 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.664 2.386 . . . . 0.0 108.55 168.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.433 ' H ' ' HG2' ' A' ' 9' ' ' GLU . . . -132.44 146.41 18.15 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 124.33 0.967 . . . . 0.0 113.903 -176.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -143.6 149.2 37.01 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 128.933 2.893 . . . . 0.0 112.03 -173.488 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.9 m -98.54 110.1 22.75 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.256 1.022 . . . . 0.0 110.77 168.025 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.3 mt -118.87 116.86 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.023 0.929 . . . . 0.0 109.619 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.69 72.88 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 123.785 0.707 . . . . 0.0 114.098 -174.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 72.05 10.66 6.08 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 128.154 2.582 . . . . 0.0 115.603 -170.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -121.8 136.78 54.94 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.786 1.176 . . . . 0.0 113.039 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.4 t -61.28 134.99 57.56 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 177.443 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -145.12 136.36 25.0 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.107 1.763 . . . . 0.0 111.318 174.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.3 m -93.86 140.1 30.08 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.6 m -136.51 157.47 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 126.198 1.799 . . . . 0.0 111.107 -174.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -77.97 -36.06 49.51 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.601 -0.687 . . . . 0.0 111.328 171.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.18 0 C-N-CA 125.917 1.687 . . . . 0.0 113.475 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.781 0 CA-C-O 118.587 -0.721 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -144.08 135.85 26.12 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.227 1.411 . . . . 0.0 111.517 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 m -60.91 148.68 38.85 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -175.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -144.45 111.79 6.01 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 125.81 1.644 . . . . 0.0 107.814 165.57 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.81 -43.22 76.7 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.504 0.722 . . . . 0.0 111.2 -175.188 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -65.07 -41.86 94.7 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -60.66 -36.01 77.64 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.94 1.245 . . . . 0.0 111.357 172.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.2 t -68.37 -43.95 76.23 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.081 0.952 . . . . 0.0 112.922 177.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -57.78 -43.5 85.62 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 120.887 -1.133 . . . . 0.0 112.5 173.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.8 mt -70.88 -27.38 63.77 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.314 1.046 . . . . 0.0 113.001 176.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.1 t -69.95 -52.28 25.77 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.853 0.861 . . . . 0.0 110.494 172.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.3 m -64.21 -27.23 68.92 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -62.01 -23.41 66.42 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.141 -0.974 . . . . 0.0 113.28 174.088 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.7 t -62.94 -34.82 78.27 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.546 1.139 . . . . 0.0 113.07 171.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.1 mt -81.21 -32.21 33.57 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.401 1.08 . . . . 0.0 111.197 169.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.3 20.37 7.89 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 126.339 1.923 . . . . 0.0 113.669 -176.358 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.8 mt -115.09 172.48 7.04 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.036 1.734 . . . . 0.0 112.796 -171.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.4 mt -87.87 156.92 19.14 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.215 1.006 . . . . 0.0 109.428 168.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.26 149.11 17.35 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.135 0.874 . . . . 0.0 113.29 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.78 152.64 39.87 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.676 1.99 . . . . 0.0 110.509 171.839 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.2 t -86.07 114.49 22.98 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 122.557 0.343 . . . . 0.0 110.741 168.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 60.9 mt -135.42 113.6 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.961 1.304 . . . . 0.0 109.891 -176.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.55 29.31 55.76 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.086 0.851 . . . . 0.0 113.396 -174.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.264 6.7 mt-10 55.27 39.23 31.27 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.85 1.66 . . . . 0.0 112.679 -169.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -139.68 144.89 37.8 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 127.614 2.366 . . . . 0.0 111.072 173.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.3 t -71.24 132.61 45.2 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.784 -0.573 . . . . 0.0 110.133 167.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -135.58 150.26 49.64 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.38 1.472 . . . . 0.0 111.499 170.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.4 m -107.55 145.53 33.07 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.7 m -138.7 154.96 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.734 1.214 . . . . 0.0 113.709 -169.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -102.33 -22.19 14.16 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.447 1.499 . . . . 0.0 113.031 177.632 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 25.2 m-20 . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.322 1.449 . . . . 0.0 112.709 -174.127 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -127.09 153.82 45.49 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.879 1.672 . . . . 0.0 110.144 179.167 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 40.5 t -84.78 157.8 20.9 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.008 0.923 . . . . 0.0 112.608 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -130.18 106.89 8.9 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.226 1.41 . . . . 0.0 108.392 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.69 -43.31 85.01 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.129 1.372 . . . . 0.0 113.066 -168.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -62.41 -42.69 99.63 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.748 0.819 . . . . 0.0 112.072 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -72.2 -39.4 68.62 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.73 0.812 . . . . 0.0 111.577 176.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.9 t -56.58 -46.27 80.88 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.88 0.872 . . . . 0.0 111.7 172.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -56.58 -46.28 80.88 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.694 0.797 . . . . 0.0 112.768 172.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.33 -40.13 95.29 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.686 1.13 . . . . 0.0 112.097 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.8 m -67.42 -40.86 85.54 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 175.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.6 m -69.28 -35.0 75.59 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.859 0.754 . . . . 0.0 112.086 174.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -56.58 -36.9 69.89 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.24 0.927 . . . . 0.0 112.45 178.15 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.1 t -66.59 -30.48 70.78 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.977 0.911 . . . . 0.0 113.039 174.488 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.1 mt -78.84 -10.17 59.7 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.603 1.161 . . . . 0.0 113.352 172.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.35 14.27 57.46 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.932 1.73 . . . . 0.0 113.299 -174.151 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.9 mt -116.9 170.5 8.57 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.863 1.665 . . . . 0.0 112.751 -168.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.7 mt -102.64 145.15 30.09 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.271 1.029 . . . . 0.0 110.541 168.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.16 147.09 17.64 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 114.375 0.51 . . . . 0.0 114.375 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -143.82 144.85 31.96 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.705 2.002 . . . . 0.0 109.112 167.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.1 m -84.25 126.54 33.25 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.671 -0.643 . . . . 0.0 109.677 169.35 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 36.1 mm -136.56 125.01 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 126.376 1.87 . . . . 0.0 108.516 -175.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.4 44.7 58.8 Favored Glycine 0 CA--C 1.542 1.731 0 O-C-N 121.177 -0.952 . . . . 0.0 113.464 -176.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 56.57 21.85 6.1 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.184 2.194 . . . . 0.0 116.589 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -138.53 146.62 42.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.934 1.293 . . . . 0.0 112.509 174.107 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.7 t -63.36 136.58 57.74 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.218 -0.926 . . . . 0.0 113.06 177.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -137.28 132.79 34.22 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.936 2.094 . . . . 0.0 108.854 172.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.1 m -97.01 105.96 18.21 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.377 0.671 . . . . 0.0 111.394 -178.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.5 m -145.19 140.05 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.592 1.557 . . . . 0.0 111.815 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -70.95 -25.58 62.8 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.073 0.549 . . . . 0.0 111.973 174.528 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 . . . . . 0 C--O 1.248 1.005 0 C-N-CA 127.29 2.236 . . . . 0.0 114.198 177.733 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 121.619 0.723 . . . . 0.0 112.613 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -136.37 152.7 50.93 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 126.443 1.897 . . . . 0.0 110.701 -177.05 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.3 p -136.67 167.26 21.75 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.353 1.061 . . . . 0.0 113.379 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -144.94 99.8 3.39 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.696 1.998 . . . . 0.0 109.088 -178.06 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.02 -41.89 65.14 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.374 1.47 . . . . 0.0 112.863 -174.136 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -59.07 -43.93 91.81 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.175 0.99 . . . . 0.0 112.05 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -71.73 -39.52 70.03 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.583 1.153 . . . . 0.0 111.642 178.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.8 t -60.24 -44.2 95.44 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.937 0.895 . . . . 0.0 112.037 174.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -57.57 -44.33 85.21 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.79 0.836 . . . . 0.0 112.487 172.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.03 -29.32 68.28 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 176.054 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -68.56 -42.53 78.23 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.834 0.854 . . . . 0.0 111.969 172.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.6 m -74.24 -25.23 59.52 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.637 1.175 . . . . 0.0 113.35 177.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -38.45 64.5 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.777 1.231 . . . . 0.0 112.68 176.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.2 m -61.18 -33.57 73.67 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.604 1.162 . . . . 0.0 113.374 176.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.6 mt -81.51 -23.26 37.42 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.577 1.551 . . . . 0.0 112.161 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.03 22.66 24.75 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.925 1.25 . . . . 0.0 113.234 -171.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 58.8 mt -118.23 171.34 8.19 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.49 1.516 . . . . 0.0 112.198 -171.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -99.05 141.49 31.74 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.262 1.025 . . . . 0.0 109.708 170.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.52 147.12 18.53 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.806 0.717 . . . . 0.0 113.715 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.92 144.12 30.92 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.467 1.907 . . . . 0.0 109.337 168.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -79.39 126.74 31.21 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.524 -0.735 . . . . 0.0 109.233 167.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.9 mm -131.61 100.06 4.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 126.241 1.817 . . . . 0.0 108.023 -175.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.13 64.91 3.2 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.065 0.84 . . . . 0.0 113.012 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 63.37 3.82 1.52 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 127.469 2.308 . . . . 0.0 116.199 -177.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -149.15 141.74 24.41 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.826 1.194 . . . . 0.0 113.401 -169.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.9 t -59.62 144.62 47.22 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -178.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -141.97 145.74 34.82 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.69 2.396 . . . . 0.0 109.272 169.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.0 m -102.35 155.39 18.27 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.762 0.825 . . . . 0.0 112.596 174.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.5 m -144.39 155.85 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.114 1.766 . . . . 0.0 111.931 175.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -72.63 -20.28 61.3 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 . . . . . 0 N--CA 1.48 1.028 0 C-N-CA 125.996 1.718 . . . . 0.0 113.303 -170.468 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 110.574 -0.158 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -123.55 92.0 3.59 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.224 1.409 . . . . 0.0 110.096 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.7 p -70.09 166.47 19.76 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.166 0.986 . . . . 0.0 113.389 178.043 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -140.51 109.55 6.1 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.802 1.241 . . . . 0.0 109.985 175.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.86 -39.81 78.65 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.715 1.206 . . . . 0.0 113.992 -168.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -61.86 -48.53 80.14 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.045 1.293 . . . . 0.0 112.342 175.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -62.94 -35.57 80.55 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.324 0.649 . . . . 0.0 111.408 175.629 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.6 t -63.34 -51.41 66.07 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.735 0.814 . . . . 0.0 112.456 171.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -58.25 -39.01 78.03 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.658 1.183 . . . . 0.0 112.854 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.94 -40.82 83.21 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.36 1.064 . . . . 0.0 111.962 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.5 m -65.81 -31.44 72.4 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.202 -0.936 . . . . 0.0 112.517 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.5 m -79.65 -30.14 41.17 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.032 0.933 . . . . 0.0 112.764 168.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -60.04 -35.51 75.27 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.604 1.093 . . . . 0.0 111.631 175.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 61.1 m -60.28 -27.77 67.54 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 169.607 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.8 mt -89.7 -17.5 28.2 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.081 1.353 . . . . 0.0 112.376 176.701 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.65 23.9 19.73 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.941 1.734 . . . . 0.0 113.407 -175.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.3 mt -126.4 164.6 20.74 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.185 1.794 . . . . 0.0 112.618 -170.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 mp -90.38 146.64 24.01 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.056 0.543 . . . . 0.0 109.787 169.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.47 149.34 18.91 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 123.469 0.557 . . . . 0.0 114.381 177.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.45 132.29 20.11 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.188 1.795 . . . . 0.0 109.846 169.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.6 t -78.66 114.97 18.05 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.75 0.705 . . . . 0.0 110.879 169.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.3 mt -136.18 115.89 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 125.788 1.635 . . . . 0.0 108.282 -175.517 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.23 35.79 63.85 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 119.523 -0.598 . . . . 0.0 113.042 -175.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 64.68 2.96 1.81 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 127.053 2.141 . . . . 0.0 116.375 -173.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -119.8 155.59 32.27 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.169 1.388 . . . . 0.0 111.572 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.0 t -81.04 110.67 16.79 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.98 0.912 . . . . 0.0 112.18 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -95.51 151.5 19.25 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.153 0.981 . . . . 0.0 109.699 167.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.0 m -116.36 145.75 42.98 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.129 0.572 . . . . 0.0 112.173 173.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.0 m -129.88 150.78 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.653 1.581 . . . . 0.0 111.708 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -71.32 -34.62 70.73 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -176.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.7 m120 . . . . . 0 C--O 1.249 1.058 0 C-N-CA 128.187 2.595 . . . . 0.0 110.301 175.213 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 119.374 -0.346 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -139.84 128.88 23.61 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.513 1.125 . . . . 0.0 112.105 -176.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 40.9 t -129.75 147.16 51.5 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.126 0.97 . . . . 0.0 113.412 177.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -119.73 97.29 5.56 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.664 1.585 . . . . 0.0 108.955 -177.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -58.5 -47.5 83.9 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.042 1.737 . . . . 0.0 113.887 -167.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -66.81 -38.0 85.64 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.545 0.738 . . . . 0.0 111.502 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -70.01 -43.71 70.8 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.872 1.669 . . . . 0.0 112.612 177.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.8 t -59.4 -39.5 83.62 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.103 1.361 . . . . 0.0 112.211 176.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -59.04 -37.84 77.93 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 173.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.8 mt -64.3 -45.26 88.74 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.718 1.145 . . . . 0.0 111.256 173.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.2 m -63.42 -33.24 75.12 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.123 0.969 . . . . 0.0 112.891 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.1 m -79.68 -34.93 39.87 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -59.86 -33.98 72.52 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 120.045 1.293 . . . . 0.0 112.069 174.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.0 m -61.58 -21.64 64.49 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.199 1.4 . . . . 0.0 114.533 170.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.4 mt -98.05 -26.19 14.69 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.53 1.132 . . . . 0.0 112.321 173.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.02 14.36 13.75 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 125.998 1.761 . . . . 0.0 114.684 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.1 mt -116.85 169.41 9.41 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.649 1.58 . . . . 0.0 112.589 -169.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.5 mt -95.96 129.38 43.24 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.979 1.312 . . . . 0.0 110.723 173.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.95 133.3 11.65 Favored Glycine 0 N--CA 1.471 1.002 0 CA-C-N 118.348 0.522 . . . . 0.0 113.595 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.28 142.91 49.56 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.333 1.053 . . . . 0.0 110.778 169.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.7 m -77.51 109.44 11.46 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 121.804 0.811 . . . . 0.0 110.391 167.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.6 mt -128.45 123.71 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.502 1.521 . . . . 0.0 108.193 -174.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.52 34.05 88.29 Favored Glycine 0 CA--C 1.539 1.544 0 O-C-N 121.754 -0.591 . . . . 0.0 114.199 -174.212 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 61.56 26.31 16.05 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.308 1.443 . . . . 0.0 113.927 -172.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -138.65 147.36 42.77 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.194 1.398 . . . . 0.0 112.105 -177.285 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.7 t -74.33 122.74 23.39 Favored 'General case' 0 C--O 1.242 0.71 0 O-C-N 121.61 -0.681 . . . . 0.0 111.167 175.589 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -134.46 135.34 42.42 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.767 1.227 . . . . 0.0 110.254 176.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.9 m -93.34 143.56 26.15 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 121.678 0.751 . . . . 0.0 112.504 177.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.8 m -148.28 177.57 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 126.581 1.952 . . . . 0.0 111.009 -174.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -100.06 -14.72 18.49 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -177.029 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 N--CA 1.482 1.169 0 C-N-CA 127.205 2.202 . . . . 0.0 112.408 179.441 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.541 0.613 0 N-CA-C 113.774 1.027 . . . . 0.0 113.774 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -89.52 84.47 6.38 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.147 1.779 . . . . 0.0 107.77 -176.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.4 tp -57.86 -47.19 83.44 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.329 1.052 . . . . 0.0 113.588 -169.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -56.38 -46.88 79.89 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.4 0.68 . . . . 0.0 112.204 175.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -65.32 -38.76 91.16 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.422 1.01 . . . . 0.0 112.444 174.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.9 t -66.11 -44.05 85.46 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.48 1.512 . . . . 0.0 112.559 177.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -60.67 -41.42 95.05 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.281 1.432 . . . . 0.0 111.852 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.88 -34.77 75.98 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.189 0.996 . . . . 0.0 112.496 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -62.43 -47.53 83.69 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.607 0.763 . . . . 0.0 111.471 173.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.4 m -71.91 -30.69 65.62 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.185 -0.947 . . . . 0.0 113.237 176.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -54.34 -41.1 68.67 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.204 1.002 . . . . 0.0 111.458 173.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.4 m -60.73 -28.08 68.41 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 176.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 mt -92.93 -9.36 40.35 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.32 1.448 . . . . 0.0 113.928 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.87 23.64 55.08 Favored Glycine 0 N--CA 1.469 0.88 0 C-N-CA 126.127 1.823 . . . . 0.0 112.682 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.1 mt -111.48 170.09 8.36 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.34 1.856 . . . . 0.0 110.319 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.3 mt -99.36 135.73 40.35 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 118.759 -0.639 . . . . 0.0 110.507 170.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.65 140.87 15.26 Favored Glycine 0 N--CA 1.47 0.923 0 C-N-CA 123.585 0.612 . . . . 0.0 114.074 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.19 143.98 34.52 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.466 1.507 . . . . 0.0 111.242 177.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.9 t -84.18 120.27 25.99 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 123.991 0.916 . . . . 0.0 111.595 172.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.8 mm -133.0 99.82 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.93 1.692 . . . . 0.0 109.501 -174.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.99 53.32 46.14 Favored Glycine 0 CA--C 1.537 1.454 0 O-C-N 121.006 -1.059 . . . . 0.0 114.413 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 62.55 14.74 7.31 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.398 1.879 . . . . 0.0 115.272 -174.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -128.34 136.79 51.44 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.291 1.837 . . . . 0.0 110.792 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 40.2 t -80.73 132.19 35.52 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.52 -0.738 . . . . 0.0 110.929 174.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -137.57 150.15 47.25 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.696 1.198 . . . . 0.0 110.967 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.5 m -113.97 152.41 30.91 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.185 0.994 . . . . 0.0 112.621 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.5 m -135.23 149.32 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 125.14 1.376 . . . . 0.0 112.09 173.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -63.03 -59.33 4.96 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -174.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.256 1.417 0 C-N-CA 128.369 2.668 . . . . 0.0 115.345 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 t . . . . . 0 CA--C 1.534 0.36 0 CA-C-O 120.863 0.363 . . . . 0.0 111.523 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -130.67 71.6 1.47 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.611 1.164 . . . . 0.0 110.285 169.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.42 ' HA ' ' HB3' ' A' ' 8' ' ' CYS . 6.9 tp -59.87 -38.0 80.93 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.721 -1.237 . . . . 0.0 113.214 -171.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -60.63 -36.22 78.12 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 118.613 -0.708 . . . . 0.0 112.907 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -72.89 -46.33 53.32 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.781 1.232 . . . . 0.0 110.948 168.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.42 ' HB3' ' HA ' ' A' ' 5' ' ' LEU . 52.9 t -55.11 -46.01 75.53 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.576 1.55 . . . . 0.0 113.006 -177.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.37 -40.71 87.38 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.463 1.105 . . . . 0.0 112.94 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.0 mt -70.45 -36.54 73.99 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.815 0.846 . . . . 0.0 112.106 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.2 t -62.81 -46.88 85.9 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.482 0.713 . . . . 0.0 112.083 -178.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 83.4 m -74.25 -23.8 59.19 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -56.03 -33.36 64.86 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.092 0.957 . . . . 0.0 112.542 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.9 m -66.11 -28.48 68.84 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 174.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.3 mt -86.93 -13.79 43.71 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.915 1.286 . . . . 0.0 113.829 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.25 19.67 45.06 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.948 1.261 . . . . 0.0 112.598 -172.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.0 mt -119.16 169.4 9.98 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.534 1.534 . . . . 0.0 111.661 -173.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.5 mt -97.17 143.04 28.37 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.908 0.883 . . . . 0.0 110.246 171.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.53 132.17 11.1 Favored Glycine 0 N--CA 1.47 0.95 0 CA-C-O 119.408 -0.662 . . . . 0.0 112.877 174.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -138.79 142.51 38.75 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 128.465 2.706 . . . . 0.0 111.719 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.8 m -94.49 130.26 40.95 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.876 -0.515 . . . . 0.0 112.341 171.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.3 mt -140.26 134.8 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 126.4 1.88 . . . . 0.0 108.244 177.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.31 24.23 65.29 Favored Glycine 0 CA--C 1.544 1.855 0 O-C-N 121.178 -0.951 . . . . 0.0 114.597 -170.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.255 40.1 mt-10 68.11 22.32 8.39 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.246 1.818 . . . . 0.0 115.017 -173.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -140.36 152.71 46.0 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.062 1.345 . . . . 0.0 112.075 172.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 40.2 t -73.23 142.66 47.29 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.866 1.666 . . . . 0.0 114.833 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -149.06 161.69 41.43 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 127.711 2.404 . . . . 0.0 110.321 166.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.3 m -94.55 151.39 19.37 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.8 m -136.06 153.84 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.899 1.68 . . . . 0.0 110.958 176.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -74.26 -34.6 63.65 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -172.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 C--O 1.248 1.001 0 C-N-CA 125.744 1.618 . . . . 0.0 112.209 176.498 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.5 t . . . . . 0 CA--C 1.536 0.427 0 CA-C-O 121.478 0.656 . . . . 0.0 112.442 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -105.87 87.87 2.68 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.225 1.41 . . . . 0.0 109.347 -175.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -47.34 -48.68 25.39 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 126.87 2.068 . . . . 0.0 114.16 -175.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -65.29 -44.85 86.65 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.411 0.684 . . . . 0.0 111.799 -178.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -68.43 -35.69 77.99 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 121.607 -0.683 . . . . 0.0 111.486 176.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.01 -48.11 81.76 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.421 1.489 . . . . 0.0 111.556 172.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -55.6 -51.23 67.86 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.959 1.303 . . . . 0.0 111.997 174.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.62 -33.55 75.86 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.494 1.043 . . . . 0.0 112.546 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.0 m -68.8 -42.97 76.58 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.493 0.717 . . . . 0.0 111.93 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.4 m -71.18 -32.39 68.83 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.541 0.736 . . . . 0.0 112.606 174.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -59.25 -32.17 69.74 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.375 1.47 . . . . 0.0 112.555 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.9 m -60.69 -31.53 70.79 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.379 1.072 . . . . 0.0 112.843 171.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.8 mt -85.6 -18.1 34.29 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.079 1.351 . . . . 0.0 112.912 170.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.77 -8.17 57.91 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 127.072 2.272 . . . . 0.0 112.672 -173.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.7 mt -81.52 165.55 21.08 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.438 1.095 . . . . 0.0 111.69 -178.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 mp -91.43 159.15 16.11 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 168.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.59 139.75 15.68 Favored Glycine 0 N--CA 1.471 1.029 0 C-N-CA 124.441 1.02 . . . . 0.0 112.823 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -140.29 146.33 38.4 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 127.151 2.181 . . . . 0.0 111.85 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.8 m -91.8 109.83 21.16 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.303 0.641 . . . . 0.0 110.75 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.1 mm -121.92 107.51 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.989 1.316 . . . . 0.0 109.634 -174.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.44 42.32 93.85 Favored Glycine 0 CA--C 1.536 1.365 0 O-C-N 121.846 -0.534 . . . . 0.0 112.769 -174.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 61.36 23.27 13.54 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.517 1.927 . . . . 0.0 115.669 -176.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -134.39 137.92 44.44 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.883 1.673 . . . . 0.0 111.763 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.3 t -66.22 130.29 42.71 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.325 1.05 . . . . 0.0 112.13 176.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -135.28 144.89 47.03 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.609 1.564 . . . . 0.0 109.901 170.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.6 m -91.48 150.2 21.33 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.6 m -139.45 151.61 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.512 1.525 . . . . 0.0 111.451 -177.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -85.8 -25.76 26.14 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -173.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 . . . . . 0 C--O 1.25 1.115 0 C-N-CA 125.424 1.489 . . . . 0.0 114.3 -169.538 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.0 p . . . . . 0 CA--C 1.541 0.601 0 N-CA-C 113.7 1.0 . . . . 0.0 113.7 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -142.13 105.69 4.67 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 124.978 1.311 . . . . 0.0 110.076 168.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.96 -41.8 83.67 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.048 1.339 . . . . 0.0 110.927 -178.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -50.9 69.48 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.961 0.904 . . . . 0.0 112.398 173.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -69.2 -33.63 73.65 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 119.216 0.917 . . . . 0.0 112.866 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.8 t -65.95 -39.97 90.93 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.204 1.001 . . . . 0.0 112.132 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -59.74 -44.77 93.66 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 120.753 -1.217 . . . . 0.0 112.929 170.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.74 -41.25 97.4 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.97 0.804 . . . . 0.0 111.232 175.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.8 m -60.45 -49.12 78.82 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 122.717 0.407 . . . . 0.0 111.497 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.5 m -69.57 -25.92 64.23 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -57.29 -30.51 64.79 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.401 1.081 . . . . 0.0 112.188 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.4 p -63.2 -31.73 72.95 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 175.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.2 mt -90.35 -10.45 43.99 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.949 2.1 . . . . 0.0 111.852 173.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.26 17.0 70.23 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 125.209 1.385 . . . . 0.0 113.212 -175.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.6 mt -105.22 171.11 7.49 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.771 1.628 . . . . 0.0 113.479 -172.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.3 mt -106.08 128.34 53.81 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.494 1.518 . . . . 0.0 110.914 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.05 132.11 11.09 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-O 119.235 -0.758 . . . . 0.0 112.784 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -133.99 125.29 27.86 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.867 1.267 . . . . 0.0 112.085 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.2 t -89.07 140.83 29.05 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 176.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.7 mt -125.82 115.63 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 126.387 1.875 . . . . 0.0 108.098 167.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.76 -79.59 0.13 Allowed Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.153 1.359 . . . . 0.0 112.459 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -146.48 -3.26 0.64 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.866 2.067 . . . . 0.0 114.169 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -106.51 135.52 47.88 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.029 1.332 . . . . 0.0 109.916 175.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.9 t -127.16 134.27 50.2 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.386 0.674 . . . . 0.0 111.158 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -131.44 157.89 42.28 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.578 1.151 . . . . 0.0 112.442 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.0 m -85.68 146.65 26.74 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.029 0.932 . . . . 0.0 111.612 173.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.2 m -140.85 161.78 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 126.144 1.778 . . . . 0.0 110.74 172.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -77.91 -27.67 49.57 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 177.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 117.306 -1.33 . . . . 0.0 112.955 -170.525 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.7 p . . . . . 0 CA--C 1.541 0.6 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -138.6 106.38 5.64 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.796 2.038 . . . . 0.0 106.777 173.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.06 -43.84 70.58 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.818 1.247 . . . . 0.0 113.251 -168.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -63.08 -41.55 99.45 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.91 0.884 . . . . 0.0 112.024 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.87 -31.8 69.81 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 121.128 -0.982 . . . . 0.0 112.746 172.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.3 t -64.08 -49.05 73.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.963 0.905 . . . . 0.0 112.481 171.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.47 -49.12 68.11 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.0 0.92 . . . . 0.0 112.349 170.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.06 -33.43 74.37 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.067 0.848 . . . . 0.0 112.556 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.3 m -71.6 -37.35 70.97 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.83 0.452 . . . . 0.0 112.213 177.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 63.9 m -74.38 -29.15 61.42 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.053 0.941 . . . . 0.0 112.936 172.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -56.4 -40.14 74.17 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.956 1.702 . . . . 0.0 112.31 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.9 m -68.12 -27.41 66.43 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.5 mt -80.35 -18.97 47.54 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.777 1.231 . . . . 0.0 113.253 173.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.8 9.95 60.59 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 126.868 2.175 . . . . 0.0 113.275 -175.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.9 mt -107.99 163.83 12.8 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.99 1.716 . . . . 0.0 111.803 -171.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.1 mt -93.21 142.14 27.64 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.971 0.908 . . . . 0.0 110.511 173.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.72 146.22 16.04 Favored Glycine 0 CA--C 1.536 1.386 0 N-CA-C 115.594 0.997 . . . . 0.0 115.594 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.84 150.09 33.52 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.661 1.985 . . . . 0.0 109.844 168.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.5 t -85.92 140.54 30.27 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.816 -0.552 . . . . 0.0 109.785 168.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.8 mm -111.89 -41.53 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -175.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.42 77.34 0.16 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 126.391 1.948 . . . . 0.0 111.834 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 59.94 6.12 0.87 Allowed 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -172.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -140.46 145.68 37.26 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.066 1.746 . . . . 0.0 111.956 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.6 t -73.71 141.21 46.4 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.739 1.615 . . . . 0.0 113.102 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -132.48 135.02 45.74 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.839 1.655 . . . . 0.0 109.547 169.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.6 m -94.71 151.05 19.59 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.319 0.648 . . . . 0.0 112.119 170.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.2 m -138.39 155.23 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 126.224 1.81 . . . . 0.0 111.083 174.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -74.89 -40.1 61.12 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.08 1.752 . . . . 0.0 111.134 -172.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.1 t . . . . . 0 N--CA 1.472 0.634 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -137.03 121.55 18.35 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 127.495 2.318 . . . . 0.0 105.528 171.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -52.45 -52.14 55.61 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.642 1.577 . . . . 0.0 114.654 -167.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -67.48 -36.19 80.63 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -68.32 -33.57 74.56 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.681 1.128 . . . . 0.0 112.37 171.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.5 t -64.96 -44.95 87.73 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.946 0.898 . . . . 0.0 111.924 169.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -54.54 -46.37 73.59 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.103 -0.998 . . . . 0.0 112.863 172.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.1 mt -73.8 -19.32 60.8 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.9 m -78.16 -38.32 43.87 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.119 0.968 . . . . 0.0 112.11 171.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.3 m -75.01 -29.3 60.8 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.225 1.01 . . . . 0.0 112.741 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.0 tpp85 -57.81 -32.81 67.94 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.79 0.723 . . . . 0.0 112.111 173.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.7 m -57.34 -28.21 62.92 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.327 0.967 . . . . 0.0 113.043 171.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.3 mt -94.94 -9.19 34.83 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.215 1.806 . . . . 0.0 114.106 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.01 23.69 37.42 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.093 1.33 . . . . 0.0 112.677 -176.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.2 mt -123.39 167.96 13.15 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.318 1.847 . . . . 0.0 111.483 -169.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -104.93 142.1 35.36 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.052 1.341 . . . . 0.0 109.579 174.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.54 142.92 16.42 Favored Glycine 0 N--CA 1.47 0.925 0 C-N-CA 123.458 0.552 . . . . 0.0 114.388 -174.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.82 136.93 36.15 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.222 1.409 . . . . 0.0 109.732 169.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.8 m -82.1 125.25 30.63 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.725 0.41 . . . . 0.0 110.178 169.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 27.8 mm -128.74 104.0 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 125.166 1.386 . . . . 0.0 107.821 -177.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.41 38.48 93.51 Favored Glycine 0 CA--C 1.537 1.409 0 O-C-N 121.221 -0.924 . . . . 0.0 112.908 -175.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.258 43.4 mt-10 60.51 19.01 8.82 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 127.276 2.23 . . . . 0.0 116.013 -171.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -105.85 130.25 53.86 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.446 -1.408 . . . . 0.0 109.952 168.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.5 t -73.46 127.33 32.4 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 121.724 -0.61 . . . . 0.0 110.676 173.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -131.29 152.11 50.86 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.113 1.365 . . . . 0.0 111.141 173.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.6 m -122.84 127.31 48.88 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -169.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.4 m -111.55 150.15 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.296 1.439 . . . . 0.0 110.755 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -63.91 -38.5 91.31 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.231 -0.918 . . . . 0.0 112.699 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.287 0 C-N-CA 127.005 2.122 . . . . 0.0 111.685 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.3 m . . . . . 0 CA--C 1.55 0.975 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -129.6 68.78 1.42 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.996 1.718 . . . . 0.0 107.387 169.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -48.82 -47.38 42.43 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -168.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -68.33 -38.91 81.99 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -62.25 -40.23 95.48 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.607 1.094 . . . . 0.0 111.202 170.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.6 t -63.64 -45.73 88.88 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.061 0.944 . . . . 0.0 112.521 174.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.91 -41.3 82.39 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.662 1.185 . . . . 0.0 112.632 174.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.0 mt -69.28 -33.47 73.26 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.198 0.999 . . . . 0.0 112.343 174.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.3 t -67.81 -53.97 22.81 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.525 1.13 . . . . 0.0 111.61 176.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.4 m -61.23 -30.51 70.49 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.559 -0.713 . . . . 0.0 112.431 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -61.04 -32.64 72.26 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.083 0.953 . . . . 0.0 113.204 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.2 t -67.34 -34.32 77.09 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 171.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 mt -77.41 -14.69 59.65 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 125.029 1.332 . . . . 0.0 113.678 176.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.16 27.65 11.88 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 126.292 1.901 . . . . 0.0 113.184 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.7 mt -133.15 -177.33 4.47 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.057 2.143 . . . . 0.0 112.087 -170.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.9 mt -123.87 146.17 48.59 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.914 2.086 . . . . 0.0 111.042 174.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.52 138.45 14.18 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.898 0.761 . . . . 0.0 114.454 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.71 133.86 27.73 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.371 1.469 . . . . 0.0 112.225 170.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.9 t -73.06 126.91 31.08 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.156 0.982 . . . . 0.0 110.922 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.3 mt -145.72 107.03 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 127.104 2.161 . . . . 0.0 108.419 -176.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.57 38.09 44.73 Favored Glycine 0 CA--C 1.539 1.537 0 N-CA-C 115.578 0.991 . . . . 0.0 115.578 173.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 58.28 30.3 19.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.394 1.878 . . . . 0.0 113.548 -173.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -142.6 166.56 24.34 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 129.706 3.203 . . . . 0.0 107.539 170.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.8 t -122.16 136.21 54.88 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 120.853 -1.154 . . . . 0.0 112.745 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -114.27 148.57 37.25 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.59 1.556 . . . . 0.0 111.685 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 57.5 m -97.88 131.45 44.35 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.819 0.848 . . . . 0.0 111.598 171.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.5 m -141.12 167.64 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.728 1.611 . . . . 0.0 111.007 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -80.03 -31.77 39.57 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 175.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.828 1.651 . . . . 0.0 113.009 179.865 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.8 t . . . . . 0 CA--C 1.541 0.631 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -134.13 126.71 30.58 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.47 1.908 . . . . 0.0 108.008 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -53.49 -53.05 56.97 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 125.381 1.472 . . . . 0.0 114.041 -169.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -64.81 -41.17 96.0 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.551 0.614 . . . . 0.0 112.432 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.3 tpp180 -58.26 -40.22 81.28 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.239 1.016 . . . . 0.0 111.869 172.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.6 t -71.39 -42.3 68.54 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.578 1.151 . . . . 0.0 112.802 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.72 -41.48 90.96 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 120.891 -1.13 . . . . 0.0 112.471 173.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.8 mt -67.84 -34.92 77.67 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.682 0.793 . . . . 0.0 112.162 173.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.4 t -65.38 -48.87 71.41 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.348 1.059 . . . . 0.0 111.369 176.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.1 m -71.07 -30.11 66.15 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.564 0.746 . . . . 0.0 112.685 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -56.21 -38.19 70.69 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.382 0.992 . . . . 0.0 112.415 173.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.1 m -66.09 -16.56 64.04 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 173.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.8 mt -98.06 -13.5 21.0 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.485 1.514 . . . . 0.0 112.61 171.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.87 17.76 46.7 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.159 1.362 . . . . 0.0 113.636 -175.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 mt -120.06 168.52 11.09 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.481 1.913 . . . . 0.0 111.48 -173.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.2 mt -94.23 158.26 15.67 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.486 -0.759 . . . . 0.0 109.56 169.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.28 142.84 17.3 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-N 118.926 0.785 . . . . 0.0 114.561 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.77 148.04 38.31 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.964 1.305 . . . . 0.0 111.842 169.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.4 m -83.87 56.33 3.63 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.338 1.055 . . . . 0.0 112.621 176.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.4 mt -66.3 119.53 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.9 1.28 . . . . 0.0 109.747 -177.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.83 16.72 78.1 Favored Glycine 0 CA--C 1.541 1.699 0 O-C-N 121.546 -0.721 . . . . 0.0 114.637 -170.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 65.83 28.75 10.74 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.682 1.993 . . . . 0.0 113.621 -170.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -133.43 142.9 48.55 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 126.778 2.031 . . . . 0.0 109.349 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 52.3 t -73.52 121.51 20.72 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 121.162 -0.961 . . . . 0.0 111.825 -177.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -131.37 144.42 51.21 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.695 1.598 . . . . 0.0 109.732 168.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.1 m -92.5 150.51 20.72 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.258 0.551 . . . . 0.0 111.773 176.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.42 149.26 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.683 1.593 . . . . 0.0 110.642 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -84.83 -21.2 29.95 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -169.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.254 1.29 0 C-N-CA 126.215 1.806 . . . . 0.0 113.31 -175.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.9 t . . . . . 0 CA--C 1.545 0.77 0 CA-C-O 121.018 0.437 . . . . 0.0 111.331 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -129.42 105.09 7.87 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.341 1.857 . . . . 0.0 108.898 -177.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.38 -60.01 4.53 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.352 1.461 . . . . 0.0 114.571 -168.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -57.82 -42.28 83.98 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.708 0.803 . . . . 0.0 111.438 174.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -60.22 -44.74 94.91 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.995 0.816 . . . . 0.0 111.801 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.1 t -59.36 -49.76 76.59 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.729 1.212 . . . . 0.0 111.456 172.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -58.15 -44.05 87.68 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.84 -37.86 82.43 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.622 0.769 . . . . 0.0 112.144 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.8 t -65.85 -43.13 89.41 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.054 0.542 . . . . 0.0 112.177 175.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.2 m -65.89 -28.87 69.27 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.385 -0.822 . . . . 0.0 112.972 173.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -58.1 -35.39 71.36 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.092 0.86 . . . . 0.0 112.46 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.1 m -66.05 -29.34 69.67 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.128 0.971 . . . . 0.0 113.332 174.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.6 mt -79.52 -16.4 56.06 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.17 0.988 . . . . 0.0 112.549 174.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.51 19.19 35.88 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 125.507 1.527 . . . . 0.0 112.504 -174.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.7 mt -116.63 178.56 4.29 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.48 1.512 . . . . 0.0 112.516 -171.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.4 mt -98.23 166.53 11.36 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.521 1.928 . . . . 0.0 108.201 167.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.12 159.48 27.45 Favored Glycine 0 N--CA 1.47 0.936 0 CA-C-N 119.229 0.922 . . . . 0.0 114.139 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -163.33 147.42 10.83 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.378 -1.072 . . . . 0.0 112.171 -177.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.1 m -88.15 121.37 30.47 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 167.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.7 mt -88.5 55.87 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.53 1.132 . . . . 0.0 108.292 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.74 -69.65 0.57 Allowed Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.891 1.71 . . . . 0.0 113.717 -171.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -94.26 -26.39 16.64 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.624 1.57 . . . . 0.0 114.325 -172.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -145.25 145.61 31.35 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -171.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.9 t -68.65 147.98 51.11 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.709 1.604 . . . . 0.0 111.999 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -148.82 138.83 22.2 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.149 1.38 . . . . 0.0 110.038 168.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.6 m -91.77 145.59 24.45 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 122.579 0.352 . . . . 0.0 111.48 174.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.4 m -140.18 158.05 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.91 1.284 . . . . 0.0 111.306 -175.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -87.41 -36.55 17.68 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -172.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.1 m120 . . . . . 0 N--CA 1.481 1.093 0 C-N-CA 124.992 1.317 . . . . 0.0 113.952 -168.949 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.1 t . . . . . 0 CA--C 1.543 0.687 0 CA-C-O 121.008 0.432 . . . . 0.0 111.319 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -132.18 112.58 12.4 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.79 1.636 . . . . 0.0 108.383 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -52.36 -48.61 65.45 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.34 1.856 . . . . 0.0 114.301 -174.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -63.94 -45.38 89.46 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.494 0.718 . . . . 0.0 111.907 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -58.35 -39.53 79.79 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.732 0.813 . . . . 0.0 111.082 176.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.76 -49.73 60.91 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.966 1.307 . . . . 0.0 113.035 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -54.36 -39.26 66.98 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.267 1.027 . . . . 0.0 112.36 174.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.8 mt -68.76 -44.6 73.37 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.584 0.753 . . . . 0.0 111.74 174.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.3 t -60.6 -43.71 97.11 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.951 0.796 . . . . 0.0 112.344 178.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.3 m -68.44 -25.89 65.23 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.796 0.839 . . . . 0.0 113.132 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -62.4 -31.74 72.47 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.123 -0.986 . . . . 0.0 113.144 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.4 m -70.63 -18.0 62.87 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 172.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.0 mt -90.05 -11.05 42.59 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.049 1.34 . . . . 0.0 112.418 170.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.55 21.55 56.02 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.162 1.363 . . . . 0.0 112.423 -174.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.8 mt -116.38 172.13 7.39 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.002 1.721 . . . . 0.0 112.337 -172.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.0 mt -102.34 153.9 19.57 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.613 1.565 . . . . 0.0 109.882 169.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.34 141.97 16.46 Favored Glycine 0 CA--C 1.535 1.294 0 N-CA-C 114.876 0.71 . . . . 0.0 114.876 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -135.27 144.73 46.97 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 127.057 2.143 . . . . 0.0 110.785 168.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.0 m -88.57 116.83 27.09 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.81 -0.556 . . . . 0.0 111.073 171.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.6 mt -140.33 127.79 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.482 1.113 . . . . 0.0 109.256 -172.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.29 40.32 91.66 Favored Glycine 0 CA--C 1.534 1.233 0 O-C-N 121.333 -0.855 . . . . 0.0 112.299 -177.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 60.36 15.28 5.32 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.283 1.833 . . . . 0.0 115.02 -176.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -125.03 145.71 49.77 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.384 1.474 . . . . 0.0 111.029 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.9 t -69.94 126.91 31.09 Favored 'General case' 0 C--O 1.237 0.443 0 O-C-N 121.236 -0.915 . . . . 0.0 110.241 169.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -129.56 135.54 48.71 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.963 1.305 . . . . 0.0 110.353 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.8 m -100.4 144.19 29.7 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.611 0.764 . . . . 0.0 111.738 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.4 m -140.43 156.51 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 125.995 1.718 . . . . 0.0 110.339 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -70.22 -40.02 74.77 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.281 -0.887 . . . . 0.0 111.043 169.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 . . . . . 0 C--O 1.254 1.292 0 C-N-CA 129.713 3.205 . . . . 0.0 109.017 177.919 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.3 p . . . . . 0 CA--C 1.542 0.671 0 N-CA-C 112.327 0.492 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -137.49 76.56 1.59 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.308 1.043 . . . . 0.0 108.592 -177.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.81 -49.9 14.65 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.258 1.823 . . . . 0.0 113.63 -168.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -69.03 -41.32 77.84 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 178.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -65.35 -34.09 77.51 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 120.373 1.442 . . . . 0.0 111.867 173.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.0 m -70.25 -38.18 75.08 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.879 2.472 . . . . 0.0 113.577 176.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -56.5 -34.26 66.8 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 120.908 -1.12 . . . . 0.0 112.373 171.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.6 mt -71.64 -29.03 64.18 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.795 0.838 . . . . 0.0 113.118 172.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.6 m -65.79 -42.98 90.06 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.08 0.855 . . . . 0.0 110.802 171.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.6 m -72.57 -35.04 67.86 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.16 0.584 . . . . 0.0 112.42 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -55.96 -30.72 62.16 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.976 1.31 . . . . 0.0 112.854 174.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.6 m -58.38 -37.58 75.57 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.289 1.036 . . . . 0.0 112.171 175.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.6 mt -90.93 -18.33 24.9 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.946 1.699 . . . . 0.0 113.234 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.56 22.45 24.02 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 125.167 1.365 . . . . 0.0 113.182 -173.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.7 mt -108.98 173.68 6.21 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.414 1.885 . . . . 0.0 111.707 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.3 mt -110.2 146.48 35.49 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.775 1.63 . . . . 0.0 110.317 172.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.62 136.84 12.91 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 123.85 0.738 . . . . 0.0 113.99 177.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -133.59 143.7 48.83 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.071 1.748 . . . . 0.0 110.51 169.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.5 t -87.04 134.26 33.51 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.442 1.019 . . . . 0.0 113.178 176.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.6 mt -141.63 120.87 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 125.963 1.705 . . . . 0.0 109.908 174.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.45 40.68 97.98 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.141 -0.975 . . . . 0.0 115.122 169.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 69.06 28.15 5.14 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.597 1.559 . . . . 0.0 115.081 -176.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -147.32 147.13 30.03 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.482 1.913 . . . . 0.0 110.701 174.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.7 m -89.82 132.76 35.08 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 120.899 -1.125 . . . . 0.0 112.885 172.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -109.77 138.11 46.61 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.391 1.876 . . . . 0.0 110.884 172.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.9 m -95.68 140.76 30.04 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.23 0.612 . . . . 0.0 112.384 173.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.9 m -143.19 159.81 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.308 1.443 . . . . 0.0 112.257 -178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -78.95 -40.57 31.55 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 121.289 -0.882 . . . . 0.0 111.887 169.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.0 m120 . . . . . 0 C--O 1.254 1.311 0 C-N-CA 128.717 2.807 . . . . 0.0 110.27 -175.669 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p . . . . . 0 CA--C 1.549 0.933 0 CA-C-O 120.691 0.281 . . . . 0.0 111.524 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -126.55 92.6 3.59 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.342 -1.474 . . . . 0.0 109.432 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.08 -42.89 86.57 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.313 -0.867 . . . . 0.0 112.289 -170.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -55.31 -41.65 72.67 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.667 0.787 . . . . 0.0 112.61 177.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -75.71 -39.46 57.35 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.222 1.409 . . . . 0.0 112.484 175.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.7 t -56.26 -40.03 73.54 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.775 0.83 . . . . 0.0 112.001 175.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -56.8 -49.9 73.94 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 170.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.68 -39.56 94.62 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.038 0.935 . . . . 0.0 111.058 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.0 t -66.43 -43.61 85.18 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.395 1.078 . . . . 0.0 112.302 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 93.9 m -70.38 -26.95 63.95 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 173.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -67.6 -24.78 65.52 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.775 -1.203 . . . . 0.0 112.931 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 m -64.2 -36.95 85.74 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.934 0.788 . . . . 0.0 111.494 168.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.6 mt -75.05 -11.12 60.03 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.11 1.364 . . . . 0.0 112.964 169.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.77 19.82 49.89 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 126.96 2.219 . . . . 0.0 113.467 177.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.3 mt -119.13 169.13 10.2 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.008 1.723 . . . . 0.0 113.158 -168.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 mp -82.66 148.09 28.14 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 168.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.99 137.87 13.84 Favored Glycine 0 N--CA 1.472 1.081 0 CA-C-N 118.816 0.735 . . . . 0.0 112.685 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.12 151.33 40.6 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.05 1.74 . . . . 0.0 111.534 176.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.9 t -85.9 128.01 34.73 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 122.668 0.387 . . . . 0.0 110.833 172.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.4 mt -127.89 108.75 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 124.376 1.07 . . . . 0.0 109.102 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.11 -92.87 0.57 Allowed Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 -170.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -138.88 17.51 2.66 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.728 1.611 . . . . 0.0 114.034 -171.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -147.5 159.94 43.17 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.028 1.331 . . . . 0.0 112.151 -176.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 43.3 t -80.45 137.27 36.46 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 121.542 0.687 . . . . 0.0 111.497 173.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -138.63 152.21 47.91 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.705 2.002 . . . . 0.0 110.507 173.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.5 m -115.41 140.19 49.36 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.601 0.76 . . . . 0.0 112.622 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.43 159.08 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.721 1.608 . . . . 0.0 111.974 -173.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -88.05 -21.77 24.57 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -178.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 t30 . . . . . 0 C--O 1.259 1.57 0 C-N-CA 128.581 2.753 . . . . 0.0 111.374 172.156 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.6 p . . . . . 0 CA--C 1.545 0.778 0 CA-C-O 120.704 0.287 . . . . 0.0 111.771 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -137.97 104.27 5.21 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 169.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.45 -48.91 77.9 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -168.144 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -65.61 -39.92 92.05 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 121.665 -0.647 . . . . 0.0 111.8 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -62.94 -41.4 99.48 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.084 0.953 . . . . 0.0 112.224 170.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.37 -41.98 99.05 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.197 0.999 . . . . 0.0 111.824 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -60.31 -45.06 94.72 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.372 -0.83 . . . . 0.0 112.447 172.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.9 mt -67.04 -38.21 85.47 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.401 1.001 . . . . 0.0 112.797 177.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.5 t -67.76 -48.74 65.53 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.553 1.541 . . . . 0.0 111.664 178.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.0 m -67.69 -28.75 67.95 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.16 -0.962 . . . . 0.0 112.564 174.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -59.13 -34.9 72.58 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.863 1.21 . . . . 0.0 112.061 174.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.7 m -69.93 -15.92 63.13 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 172.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.7 mt -94.31 -12.57 27.77 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.127 1.371 . . . . 0.0 112.532 169.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.88 18.61 50.45 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.621 1.581 . . . . 0.0 113.46 -175.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.4 mt -116.15 171.91 7.51 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.651 1.58 . . . . 0.0 113.39 -170.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.0 mt -99.55 124.09 44.42 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.031 1.333 . . . . 0.0 109.866 174.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.97 144.3 19.35 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-N 118.523 0.601 . . . . 0.0 113.725 177.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.89 150.2 34.76 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.519 1.928 . . . . 0.0 111.471 173.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.8 t -81.49 118.99 23.18 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.03 0.832 . . . . 0.0 109.104 166.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.3 mt -142.91 131.38 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.496 1.518 . . . . 0.0 108.789 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.22 39.75 96.38 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 123.855 0.741 . . . . 0.0 113.298 -178.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 57.42 16.93 3.48 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 -171.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -130.26 161.35 31.42 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.318 1.847 . . . . 0.0 111.902 -177.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.2 t -71.73 132.89 45.16 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.783 -1.198 . . . . 0.0 109.214 167.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -128.22 128.79 45.37 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.836 1.254 . . . . 0.0 109.711 170.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.9 m -89.23 143.54 26.76 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 123.584 0.552 . . . . 0.0 110.15 169.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.8 m -134.09 154.83 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 124.984 1.313 . . . . 0.0 110.58 174.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -75.5 -41.69 54.74 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 122.981 0.512 . . . . 0.0 111.796 175.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.255 1.342 0 C-N-CA 129.821 3.248 . . . . 0.0 110.77 173.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.9 p . . . . . 0 CA--C 1.538 0.5 0 CA-C-O 121.199 0.523 . . . . 0.0 111.69 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -126.37 88.03 2.77 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.012 1.325 . . . . 0.0 108.392 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -42.84 68.59 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.314 1.046 . . . . 0.0 111.758 -178.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.49 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -61.9 -49.93 74.23 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.33 0.652 . . . . 0.0 111.979 176.542 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -64.45 -36.9 85.67 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.185 0.448 . . . . 0.0 111.312 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.8 t -62.59 -47.71 82.62 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.243 1.417 . . . . 0.0 111.676 175.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -55.1 -49.29 72.09 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.171 -0.956 . . . . 0.0 112.177 172.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.12 -28.83 64.58 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.324 0.649 . . . . 0.0 112.418 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.1 m -68.78 -43.07 76.47 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.148 0.979 . . . . 0.0 111.248 172.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.6 m -67.74 -31.44 71.36 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.444 -0.785 . . . . 0.0 112.228 172.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -60.24 -31.89 70.62 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.642 1.177 . . . . 0.0 113.249 176.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.9 t -66.14 -34.57 78.35 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.182 0.993 . . . . 0.0 112.761 171.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.8 mt -76.33 -26.35 55.67 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.109 0.964 . . . . 0.0 112.041 170.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.85 22.92 26.87 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 125.654 1.597 . . . . 0.0 112.809 -173.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.1 mt -110.58 169.28 8.86 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.938 2.095 . . . . 0.0 110.538 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.6 mt -93.19 152.94 18.91 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 118.419 -0.8 . . . . 0.0 109.698 168.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.54 142.37 16.83 Favored Glycine 0 N--CA 1.474 1.172 0 CA-C-N 119.079 0.854 . . . . 0.0 114.594 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -138.45 144.13 39.98 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 128.231 2.612 . . . . 0.0 111.085 -178.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.5 t -89.77 130.73 35.99 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.354 0.525 . . . . 0.0 109.788 167.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.8 mt -139.82 116.97 10.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 125.068 1.347 . . . . 0.0 107.992 176.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.64 56.23 25.74 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 124.278 0.942 . . . . 0.0 113.451 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 56.91 22.03 6.75 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.186 2.194 . . . . 0.0 114.471 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -143.78 141.83 30.61 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.735 -1.228 . . . . 0.0 113.244 -173.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 46.3 t -74.61 135.88 42.02 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.428 1.091 . . . . 0.0 113.056 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -136.94 138.87 41.08 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.535 1.534 . . . . 0.0 110.752 169.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.8 m -94.9 156.6 16.27 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.439 0.695 . . . . 0.0 112.808 174.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.9 m -136.33 143.94 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.675 1.59 . . . . 0.0 111.061 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -79.49 23.53 0.4 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.577 1.951 . . . . 0.0 116.213 -169.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.0 m120 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 125.014 1.326 . . . . 0.0 113.862 -174.122 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.5 t . . . . . 0 CA--C 1.536 0.411 0 N-CA-C 112.523 0.564 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -145.64 75.13 1.41 Allowed 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 169.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.65 -45.61 91.5 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.53 1.132 . . . . 0.0 113.194 -167.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -62.51 -42.9 99.82 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.327 -0.858 . . . . 0.0 112.603 173.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -62.11 -38.13 87.73 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.035 0.834 . . . . 0.0 111.205 174.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.8 t -63.42 -49.42 73.82 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.283 1.433 . . . . 0.0 111.045 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.433 ' HG2' ' H ' ' A' ' 19' ' ' GLY . 16.3 mt-10 -58.53 -45.44 88.85 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 120.295 -1.503 . . . . 0.0 113.287 173.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.43 -19.76 65.42 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.928 0.891 . . . . 0.0 112.515 177.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.3 m -78.3 -48.41 15.71 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.156 0.982 . . . . 0.0 110.941 168.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.6 m -67.14 -25.61 66.26 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.04 0.936 . . . . 0.0 113.429 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -61.94 -28.85 69.83 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.335 1.054 . . . . 0.0 112.816 174.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.3 t -64.6 -43.89 92.37 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.065 0.946 . . . . 0.0 111.282 169.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.3 mt -70.19 -20.86 63.09 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.384 1.074 . . . . 0.0 112.827 178.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.14 20.6 27.46 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.299 1.428 . . . . 0.0 113.329 -176.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.0 mt -120.38 -172.64 2.4 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.545 1.938 . . . . 0.0 112.087 -171.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.1 mt -111.35 166.39 11.15 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.664 2.386 . . . . 0.0 108.55 168.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.433 ' H ' ' HG2' ' A' ' 9' ' ' GLU . . . -132.44 146.41 18.15 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 124.33 0.967 . . . . 0.0 113.903 -176.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -143.6 149.2 37.01 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 128.933 2.893 . . . . 0.0 112.03 -173.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.9 m -98.54 110.1 22.75 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.256 1.022 . . . . 0.0 110.77 168.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.3 mt -118.87 116.86 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.023 0.929 . . . . 0.0 109.619 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.69 72.88 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 123.785 0.707 . . . . 0.0 114.098 -174.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 72.05 10.66 6.08 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 128.154 2.582 . . . . 0.0 115.603 -170.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -121.8 136.78 54.94 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.786 1.176 . . . . 0.0 113.039 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.4 t -61.28 134.99 57.56 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 177.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -145.12 136.36 25.0 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.107 1.763 . . . . 0.0 111.318 174.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.3 m -93.86 140.1 30.08 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.6 m -136.51 157.47 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 126.198 1.799 . . . . 0.0 111.107 -174.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -77.97 -36.06 49.51 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.601 -0.687 . . . . 0.0 111.328 171.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.18 0 C-N-CA 125.917 1.687 . . . . 0.0 113.475 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 m . . . . . 0 CA--C 1.542 0.662 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -144.45 111.79 6.01 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 125.81 1.644 . . . . 0.0 107.814 165.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.81 -43.22 76.7 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.504 0.722 . . . . 0.0 111.2 -175.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -65.07 -41.86 94.7 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -60.66 -36.01 77.64 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.94 1.245 . . . . 0.0 111.357 172.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.2 t -68.37 -43.95 76.23 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.081 0.952 . . . . 0.0 112.922 177.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -57.78 -43.5 85.62 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 120.887 -1.133 . . . . 0.0 112.5 173.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.8 mt -70.88 -27.38 63.77 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.314 1.046 . . . . 0.0 113.001 176.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.1 t -69.95 -52.28 25.77 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.853 0.861 . . . . 0.0 110.494 172.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.3 m -64.21 -27.23 68.92 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -62.01 -23.41 66.42 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.141 -0.974 . . . . 0.0 113.28 174.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.7 t -62.94 -34.82 78.27 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.546 1.139 . . . . 0.0 113.07 171.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.1 mt -81.21 -32.21 33.57 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.401 1.08 . . . . 0.0 111.197 169.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.3 20.37 7.89 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 126.339 1.923 . . . . 0.0 113.669 -176.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.8 mt -115.09 172.48 7.04 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.036 1.734 . . . . 0.0 112.796 -171.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.4 mt -87.87 156.92 19.14 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.215 1.006 . . . . 0.0 109.428 168.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.26 149.11 17.35 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.135 0.874 . . . . 0.0 113.29 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.78 152.64 39.87 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.676 1.99 . . . . 0.0 110.509 171.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.2 t -86.07 114.49 22.98 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 122.557 0.343 . . . . 0.0 110.741 168.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 60.9 mt -135.42 113.6 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.961 1.304 . . . . 0.0 109.891 -176.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.55 29.31 55.76 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.086 0.851 . . . . 0.0 113.396 -174.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.264 6.7 mt-10 55.27 39.23 31.27 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.85 1.66 . . . . 0.0 112.679 -169.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -139.68 144.89 37.8 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 127.614 2.366 . . . . 0.0 111.072 173.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.3 t -71.24 132.61 45.2 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.784 -0.573 . . . . 0.0 110.133 167.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -135.58 150.26 49.64 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.38 1.472 . . . . 0.0 111.499 170.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.4 m -107.55 145.53 33.07 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.7 m -138.7 154.96 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.734 1.214 . . . . 0.0 113.709 -169.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -102.33 -22.19 14.16 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.447 1.499 . . . . 0.0 113.031 177.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 m120 . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.322 1.449 . . . . 0.0 112.709 -174.127 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 40.5 t . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -130.18 106.89 8.9 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.226 1.41 . . . . 0.0 108.392 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.69 -43.31 85.01 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.129 1.372 . . . . 0.0 113.066 -168.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -62.41 -42.69 99.63 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.748 0.819 . . . . 0.0 112.072 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -72.2 -39.4 68.62 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.73 0.812 . . . . 0.0 111.577 176.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.9 t -56.58 -46.27 80.88 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.88 0.872 . . . . 0.0 111.7 172.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -56.58 -46.28 80.88 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.694 0.797 . . . . 0.0 112.768 172.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.33 -40.13 95.29 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.686 1.13 . . . . 0.0 112.097 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.8 m -67.42 -40.86 85.54 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 175.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.6 m -69.28 -35.0 75.59 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.859 0.754 . . . . 0.0 112.086 174.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -56.58 -36.9 69.89 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.24 0.927 . . . . 0.0 112.45 178.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.1 t -66.59 -30.48 70.78 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.977 0.911 . . . . 0.0 113.039 174.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.1 mt -78.84 -10.17 59.7 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.603 1.161 . . . . 0.0 113.352 172.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.35 14.27 57.46 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.932 1.73 . . . . 0.0 113.299 -174.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.9 mt -116.9 170.5 8.57 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.863 1.665 . . . . 0.0 112.751 -168.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.7 mt -102.64 145.15 30.09 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.271 1.029 . . . . 0.0 110.541 168.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.16 147.09 17.64 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 114.375 0.51 . . . . 0.0 114.375 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -143.82 144.85 31.96 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.705 2.002 . . . . 0.0 109.112 167.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.1 m -84.25 126.54 33.25 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.671 -0.643 . . . . 0.0 109.677 169.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 36.1 mm -136.56 125.01 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 126.376 1.87 . . . . 0.0 108.516 -175.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.4 44.7 58.8 Favored Glycine 0 CA--C 1.542 1.731 0 O-C-N 121.177 -0.952 . . . . 0.0 113.464 -176.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 56.57 21.85 6.1 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.184 2.194 . . . . 0.0 116.589 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -138.53 146.62 42.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.934 1.293 . . . . 0.0 112.509 174.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.7 t -63.36 136.58 57.74 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.218 -0.926 . . . . 0.0 113.06 177.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -137.28 132.79 34.22 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.936 2.094 . . . . 0.0 108.854 172.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.1 m -97.01 105.96 18.21 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.377 0.671 . . . . 0.0 111.394 -178.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.5 m -145.19 140.05 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.592 1.557 . . . . 0.0 111.815 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -70.95 -25.58 62.8 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.073 0.549 . . . . 0.0 111.973 174.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 . . . . . 0 C--O 1.248 1.005 0 C-N-CA 127.29 2.236 . . . . 0.0 114.198 177.733 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.3 p . . . . . 0 CA--C 1.545 0.758 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -144.94 99.8 3.39 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.696 1.998 . . . . 0.0 109.088 -178.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.02 -41.89 65.14 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.374 1.47 . . . . 0.0 112.863 -174.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -59.07 -43.93 91.81 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.175 0.99 . . . . 0.0 112.05 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -71.73 -39.52 70.03 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.583 1.153 . . . . 0.0 111.642 178.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.8 t -60.24 -44.2 95.44 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.937 0.895 . . . . 0.0 112.037 174.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -57.57 -44.33 85.21 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.79 0.836 . . . . 0.0 112.487 172.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.03 -29.32 68.28 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 176.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -68.56 -42.53 78.23 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.834 0.854 . . . . 0.0 111.969 172.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.6 m -74.24 -25.23 59.52 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.637 1.175 . . . . 0.0 113.35 177.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -38.45 64.5 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.777 1.231 . . . . 0.0 112.68 176.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.2 m -61.18 -33.57 73.67 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.604 1.162 . . . . 0.0 113.374 176.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.6 mt -81.51 -23.26 37.42 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.577 1.551 . . . . 0.0 112.161 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.03 22.66 24.75 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.925 1.25 . . . . 0.0 113.234 -171.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 58.8 mt -118.23 171.34 8.19 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.49 1.516 . . . . 0.0 112.198 -171.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -99.05 141.49 31.74 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.262 1.025 . . . . 0.0 109.708 170.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.52 147.12 18.53 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.806 0.717 . . . . 0.0 113.715 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.92 144.12 30.92 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.467 1.907 . . . . 0.0 109.337 168.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -79.39 126.74 31.21 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.524 -0.735 . . . . 0.0 109.233 167.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.9 mm -131.61 100.06 4.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 126.241 1.817 . . . . 0.0 108.023 -175.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.13 64.91 3.2 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.065 0.84 . . . . 0.0 113.012 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 63.37 3.82 1.52 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 127.469 2.308 . . . . 0.0 116.199 -177.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -149.15 141.74 24.41 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.826 1.194 . . . . 0.0 113.401 -169.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.9 t -59.62 144.62 47.22 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -178.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -141.97 145.74 34.82 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.69 2.396 . . . . 0.0 109.272 169.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.0 m -102.35 155.39 18.27 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.762 0.825 . . . . 0.0 112.596 174.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.5 m -144.39 155.85 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.114 1.766 . . . . 0.0 111.931 175.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -72.63 -20.28 61.3 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 . . . . . 0 N--CA 1.48 1.028 0 C-N-CA 125.996 1.718 . . . . 0.0 113.303 -170.468 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.7 p . . . . . 0 CA--C 1.544 0.735 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -140.51 109.55 6.1 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.802 1.241 . . . . 0.0 109.985 175.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.86 -39.81 78.65 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.715 1.206 . . . . 0.0 113.992 -168.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -61.86 -48.53 80.14 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.045 1.293 . . . . 0.0 112.342 175.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -62.94 -35.57 80.55 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.324 0.649 . . . . 0.0 111.408 175.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.6 t -63.34 -51.41 66.07 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.735 0.814 . . . . 0.0 112.456 171.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -58.25 -39.01 78.03 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.658 1.183 . . . . 0.0 112.854 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.94 -40.82 83.21 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.36 1.064 . . . . 0.0 111.962 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.5 m -65.81 -31.44 72.4 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.202 -0.936 . . . . 0.0 112.517 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.5 m -79.65 -30.14 41.17 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.032 0.933 . . . . 0.0 112.764 168.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -60.04 -35.51 75.27 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.604 1.093 . . . . 0.0 111.631 175.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 61.1 m -60.28 -27.77 67.54 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 169.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.8 mt -89.7 -17.5 28.2 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.081 1.353 . . . . 0.0 112.376 176.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.65 23.9 19.73 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.941 1.734 . . . . 0.0 113.407 -175.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.3 mt -126.4 164.6 20.74 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.185 1.794 . . . . 0.0 112.618 -170.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 mp -90.38 146.64 24.01 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.056 0.543 . . . . 0.0 109.787 169.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.47 149.34 18.91 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 123.469 0.557 . . . . 0.0 114.381 177.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.45 132.29 20.11 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.188 1.795 . . . . 0.0 109.846 169.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.6 t -78.66 114.97 18.05 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.75 0.705 . . . . 0.0 110.879 169.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.3 mt -136.18 115.89 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 125.788 1.635 . . . . 0.0 108.282 -175.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.23 35.79 63.85 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 119.523 -0.598 . . . . 0.0 113.042 -175.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 64.68 2.96 1.81 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 127.053 2.141 . . . . 0.0 116.375 -173.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -119.8 155.59 32.27 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.169 1.388 . . . . 0.0 111.572 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.0 t -81.04 110.67 16.79 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.98 0.912 . . . . 0.0 112.18 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -95.51 151.5 19.25 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.153 0.981 . . . . 0.0 109.699 167.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.0 m -116.36 145.75 42.98 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.129 0.572 . . . . 0.0 112.173 173.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.0 m -129.88 150.78 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.653 1.581 . . . . 0.0 111.708 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -71.32 -34.62 70.73 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -176.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.7 m120 . . . . . 0 C--O 1.249 1.058 0 C-N-CA 128.187 2.595 . . . . 0.0 110.301 175.213 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 40.9 t . . . . . 0 CA--C 1.542 0.639 0 N-CA-C 113.412 0.893 . . . . 0.0 113.412 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -119.73 97.29 5.56 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.664 1.585 . . . . 0.0 108.955 -177.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -58.5 -47.5 83.9 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.042 1.737 . . . . 0.0 113.887 -167.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -66.81 -38.0 85.64 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.545 0.738 . . . . 0.0 111.502 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -70.01 -43.71 70.8 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.872 1.669 . . . . 0.0 112.612 177.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.8 t -59.4 -39.5 83.62 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.103 1.361 . . . . 0.0 112.211 176.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -59.04 -37.84 77.93 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 173.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.8 mt -64.3 -45.26 88.74 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.718 1.145 . . . . 0.0 111.256 173.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.2 m -63.42 -33.24 75.12 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.123 0.969 . . . . 0.0 112.891 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.1 m -79.68 -34.93 39.87 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -59.86 -33.98 72.52 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 120.045 1.293 . . . . 0.0 112.069 174.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.0 m -61.58 -21.64 64.49 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.199 1.4 . . . . 0.0 114.533 170.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.4 mt -98.05 -26.19 14.69 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.53 1.132 . . . . 0.0 112.321 173.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.02 14.36 13.75 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 125.998 1.761 . . . . 0.0 114.684 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.1 mt -116.85 169.41 9.41 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.649 1.58 . . . . 0.0 112.589 -169.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.5 mt -95.96 129.38 43.24 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.979 1.312 . . . . 0.0 110.723 173.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.95 133.3 11.65 Favored Glycine 0 N--CA 1.471 1.002 0 CA-C-N 118.348 0.522 . . . . 0.0 113.595 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.28 142.91 49.56 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.333 1.053 . . . . 0.0 110.778 169.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.7 m -77.51 109.44 11.46 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 121.804 0.811 . . . . 0.0 110.391 167.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.6 mt -128.45 123.71 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.502 1.521 . . . . 0.0 108.193 -174.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.52 34.05 88.29 Favored Glycine 0 CA--C 1.539 1.544 0 O-C-N 121.754 -0.591 . . . . 0.0 114.199 -174.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 61.56 26.31 16.05 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.308 1.443 . . . . 0.0 113.927 -172.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -138.65 147.36 42.77 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.194 1.398 . . . . 0.0 112.105 -177.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.7 t -74.33 122.74 23.39 Favored 'General case' 0 C--O 1.242 0.71 0 O-C-N 121.61 -0.681 . . . . 0.0 111.167 175.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -134.46 135.34 42.42 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.767 1.227 . . . . 0.0 110.254 176.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.9 m -93.34 143.56 26.15 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 121.678 0.751 . . . . 0.0 112.504 177.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.8 m -148.28 177.57 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 126.581 1.952 . . . . 0.0 111.009 -174.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -100.06 -14.72 18.49 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -177.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 N--CA 1.482 1.169 0 C-N-CA 127.205 2.202 . . . . 0.0 112.408 179.441 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.582 0 CA-C-O 118.68 -0.676 . . . . 0.0 111.457 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 63.8 m-85 -147.43 138.32 23.55 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 124.899 1.28 . . . . 0.0 111.567 -176.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -62.15 163.77 7.71 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.462 1.505 . . . . 0.0 113.774 -178.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -89.52 84.47 6.38 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 126.147 1.779 . . . . 0.0 107.77 -176.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 12.4 tp -57.86 -47.19 83.44 Favored 'General case' 0 N--CA 1.447 -0.598 0 C-N-CA 124.329 1.052 . . . . 0.0 113.588 -169.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 55.5 ttp180 -56.38 -46.88 79.89 Favored 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 123.4 0.68 . . . . 0.0 112.204 175.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 93.7 mtt180 -65.32 -38.76 91.16 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 119.422 1.01 . . . . 0.0 112.444 174.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.9 t -66.11 -44.05 85.46 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 125.48 1.512 . . . . 0.0 112.559 177.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -60.67 -41.42 95.05 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.281 1.432 . . . . 0.0 111.852 174.414 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 82.4 mt -68.88 -34.77 75.98 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.189 0.996 . . . . 0.0 112.496 174.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 40.1 t -62.43 -47.53 83.69 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 123.607 0.763 . . . . 0.0 111.471 173.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 65.4 m -71.91 -30.69 65.62 Favored 'General case' 0 CA--C 1.543 0.674 0 O-C-N 121.185 -0.947 . . . . 0.0 113.237 176.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -54.34 -41.1 68.67 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.204 1.002 . . . . 0.0 111.458 173.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.4 m -60.73 -28.08 68.41 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 114.347 1.24 . . . . 0.0 114.347 176.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.3 mt -92.93 -9.36 40.35 Favored 'General case' 0 CA--C 1.551 0.983 0 C-N-CA 125.32 1.448 . . . . 0.0 113.928 175.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.87 23.64 55.08 Favored Glycine 0 N--CA 1.469 0.88 0 C-N-CA 126.127 1.823 . . . . 0.0 112.682 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 20.1 mt -111.48 170.09 8.36 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 126.34 1.856 . . . . 0.0 110.319 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.3 mt -99.36 135.73 40.35 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 118.759 -0.639 . . . . 0.0 110.507 170.05 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -94.65 140.87 15.26 Favored Glycine 0 N--CA 1.47 0.923 0 C-N-CA 123.585 0.612 . . . . 0.0 114.074 178.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.19 143.98 34.52 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.466 1.507 . . . . 0.0 111.242 177.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 19.9 t -84.18 120.27 25.99 Favored 'General case' 0 C--O 1.238 0.475 0 C-N-CA 123.991 0.916 . . . . 0.0 111.595 172.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 32.8 mm -133.0 99.82 3.46 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 125.93 1.692 . . . . 0.0 109.501 -174.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.99 53.32 46.14 Favored Glycine 0 CA--C 1.537 1.454 0 O-C-N 121.006 -1.059 . . . . 0.0 114.413 174.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 62.55 14.74 7.31 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 126.398 1.879 . . . . 0.0 115.272 -174.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.5 tt0 -128.34 136.79 51.44 Favored 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 126.291 1.837 . . . . 0.0 110.792 -178.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 40.2 t -80.73 132.19 35.52 Favored 'General case' 0 CA--C 1.537 0.475 0 O-C-N 121.52 -0.738 . . . . 0.0 110.929 174.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 46.3 mtpt -137.57 150.15 47.25 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.696 1.198 . . . . 0.0 110.967 178.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 22.5 m -113.97 152.41 30.91 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.185 0.994 . . . . 0.0 112.621 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.5 m -135.23 149.32 28.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 C-N-CA 125.14 1.376 . . . . 0.0 112.09 173.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -63.03 -59.33 4.96 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.662 1.356 . . . . 0.0 114.662 -174.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.256 1.417 0 C-N-CA 128.369 2.668 . . . . 0.0 115.345 175.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.687 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 61.0 m-85 -135.12 137.8 43.15 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 125.636 1.574 . . . . 0.0 110.694 -178.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.3 t -81.63 151.1 27.78 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.98 1.312 . . . . 0.0 111.523 -179.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -130.67 71.6 1.47 Allowed 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.611 1.164 . . . . 0.0 110.285 169.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.42 ' HA ' ' HB3' ' A' ' 8' ' ' CYS . 6.9 tp -59.87 -38.0 80.93 Favored 'General case' 0 CA--C 1.533 0.323 0 O-C-N 120.721 -1.237 . . . . 0.0 113.214 -171.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.2 ttp180 -60.63 -36.22 78.12 Favored 'General case' 0 N--CA 1.477 0.881 0 CA-C-O 118.613 -0.708 . . . . 0.0 112.907 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 51.3 ttp180 -72.89 -46.33 53.32 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.781 1.232 . . . . 0.0 110.948 168.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.42 ' HB3' ' HA ' ' A' ' 5' ' ' LEU . 52.9 t -55.11 -46.01 75.53 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.576 1.55 . . . . 0.0 113.006 -177.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.37 -40.71 87.38 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.463 1.105 . . . . 0.0 112.94 177.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.0 mt -70.45 -36.54 73.99 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.815 0.846 . . . . 0.0 112.106 175.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.2 t -62.81 -46.88 85.9 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.482 0.713 . . . . 0.0 112.083 -178.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 83.4 m -74.25 -23.8 59.19 Favored 'General case' 0 CA--C 1.539 0.545 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 178.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -56.03 -33.36 64.86 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.092 0.957 . . . . 0.0 112.542 176.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.9 m -66.11 -28.48 68.84 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 174.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 74.3 mt -86.93 -13.79 43.71 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 124.915 1.286 . . . . 0.0 113.829 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 90.25 19.67 45.06 Favored Glycine 0 CA--C 1.533 1.168 0 C-N-CA 124.948 1.261 . . . . 0.0 112.598 -172.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 35.0 mt -119.16 169.4 9.98 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 125.534 1.534 . . . . 0.0 111.661 -173.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.5 mt -97.17 143.04 28.37 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.908 0.883 . . . . 0.0 110.246 171.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.53 132.17 11.1 Favored Glycine 0 N--CA 1.47 0.95 0 CA-C-O 119.408 -0.662 . . . . 0.0 112.877 174.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -138.79 142.51 38.75 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 128.465 2.706 . . . . 0.0 111.719 -179.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.8 m -94.49 130.26 40.95 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 121.876 -0.515 . . . . 0.0 112.341 171.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 41.3 mt -140.26 134.8 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 126.4 1.88 . . . . 0.0 108.244 177.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.31 24.23 65.29 Favored Glycine 0 CA--C 1.544 1.855 0 O-C-N 121.178 -0.951 . . . . 0.0 114.597 -170.173 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.255 40.1 mt-10 68.11 22.32 8.39 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 126.246 1.818 . . . . 0.0 115.017 -173.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -140.36 152.71 46.0 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 125.062 1.345 . . . . 0.0 112.075 172.452 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 40.2 t -73.23 142.66 47.29 Favored 'General case' 0 CA--C 1.539 0.545 0 C-N-CA 125.866 1.666 . . . . 0.0 114.833 -177.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -149.06 161.69 41.43 Favored 'General case' 0 CA--C 1.532 0.275 0 C-N-CA 127.711 2.404 . . . . 0.0 110.321 166.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 29.3 m -94.55 151.39 19.37 Favored 'General case' 0 CA--C 1.538 0.483 0 N-CA-C 112.504 0.557 . . . . 0.0 112.504 177.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 25.8 m -136.06 153.84 32.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.899 1.68 . . . . 0.0 110.958 176.377 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 60.7 m-85 -74.26 -34.6 63.65 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 115.274 1.583 . . . . 0.0 115.274 -172.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.2 p-10 . . . . . 0 C--O 1.248 1.001 0 C-N-CA 125.744 1.618 . . . . 0.0 112.209 176.498 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.006 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.4 t80 -153.6 138.81 17.44 Favored 'General case' 0 CA--C 1.547 0.843 0 CA-C-N 119.344 0.974 . . . . 0.0 110.24 -176.171 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 7.5 t -119.98 141.45 49.66 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 126.307 1.843 . . . . 0.0 112.442 -173.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.3 m120 -105.87 87.87 2.68 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 125.225 1.41 . . . . 0.0 109.347 -175.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -47.34 -48.68 25.39 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 126.87 2.068 . . . . 0.0 114.16 -175.383 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -65.29 -44.85 86.65 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.411 0.684 . . . . 0.0 111.799 -178.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -68.43 -35.69 77.99 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 121.607 -0.683 . . . . 0.0 111.486 176.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.7 t -62.01 -48.11 81.76 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 125.421 1.489 . . . . 0.0 111.556 172.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -55.6 -51.23 67.86 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 124.959 1.303 . . . . 0.0 111.997 174.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 90.2 mt -63.62 -33.55 75.86 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.494 1.043 . . . . 0.0 112.546 178.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.0 m -68.8 -42.97 76.58 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.493 0.717 . . . . 0.0 111.93 176.176 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.4 m -71.18 -32.39 68.83 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 123.541 0.736 . . . . 0.0 112.606 174.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.8 ttm180 -59.25 -32.17 69.74 Favored 'General case' 0 N--CA 1.48 1.03 0 C-N-CA 125.375 1.47 . . . . 0.0 112.555 179.05 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.9 m -60.69 -31.53 70.79 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 124.379 1.072 . . . . 0.0 112.843 171.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 22.8 mt -85.6 -18.1 34.29 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 125.079 1.351 . . . . 0.0 112.912 170.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.77 -8.17 57.91 Favored Glycine 0 CA--C 1.53 1.022 0 C-N-CA 127.072 2.272 . . . . 0.0 112.672 -173.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 25.7 mt -81.52 165.55 21.08 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.438 1.095 . . . . 0.0 111.69 -178.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.6 mp -91.43 159.15 16.11 Favored 'General case' 0 N--CA 1.466 0.335 0 N-CA-C 108.154 -1.054 . . . . 0.0 108.154 168.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -115.59 139.75 15.68 Favored Glycine 0 N--CA 1.471 1.029 0 C-N-CA 124.441 1.02 . . . . 0.0 112.823 174.828 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 43.9 mmtt -140.29 146.33 38.4 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 127.151 2.181 . . . . 0.0 111.85 -179.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.8 m -91.8 109.83 21.16 Favored 'General case' 0 CA--C 1.539 0.558 0 C-N-CA 123.303 0.641 . . . . 0.0 110.75 175.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 35.1 mm -121.92 107.51 20.05 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.989 1.316 . . . . 0.0 109.634 -174.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.44 42.32 93.85 Favored Glycine 0 CA--C 1.536 1.365 0 O-C-N 121.846 -0.534 . . . . 0.0 112.769 -174.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 61.36 23.27 13.54 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.517 1.927 . . . . 0.0 115.669 -176.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 81.2 tt0 -134.39 137.92 44.44 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 125.883 1.673 . . . . 0.0 111.763 178.014 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 21.3 t -66.22 130.29 42.71 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.325 1.05 . . . . 0.0 112.13 176.399 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.6 ttmt -135.28 144.89 47.03 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.609 1.564 . . . . 0.0 109.901 170.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.6 m -91.48 150.2 21.33 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 175.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 11.6 m -139.45 151.61 22.82 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.016 0 C-N-CA 125.512 1.525 . . . . 0.0 111.451 -177.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -85.8 -25.76 26.14 Favored 'General case' 0 N--CA 1.477 0.886 0 N-CA-C 115.517 1.673 . . . . 0.0 115.517 -173.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 . . . . . 0 C--O 1.25 1.115 0 C-N-CA 125.424 1.489 . . . . 0.0 114.3 -169.538 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 119.086 -0.483 . . . . 0.0 111.306 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -140.84 155.75 46.28 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 125.348 1.459 . . . . 0.0 110.912 179.383 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.0 p -114.74 171.91 7.36 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 124.308 1.043 . . . . 0.0 113.7 178.731 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.4 t-20 -142.13 105.69 4.67 Favored 'General case' 0 N--CA 1.445 -0.723 0 C-N-CA 124.978 1.311 . . . . 0.0 110.076 168.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.96 -41.8 83.67 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.048 1.339 . . . . 0.0 110.927 -178.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -55.94 -50.9 69.48 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 123.961 0.904 . . . . 0.0 112.398 173.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 37.6 ttm180 -69.2 -33.63 73.65 Favored 'General case' 0 N--CA 1.478 0.929 0 CA-C-N 119.216 0.917 . . . . 0.0 112.866 -179.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.8 t -65.95 -39.97 90.93 Favored 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.204 1.001 . . . . 0.0 112.132 175.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 78.5 mt-10 -59.74 -44.77 93.66 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 120.753 -1.217 . . . . 0.0 112.929 170.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.7 mt -61.74 -41.25 97.4 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.97 0.804 . . . . 0.0 111.232 175.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 48.8 m -60.45 -49.12 78.82 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 122.717 0.407 . . . . 0.0 111.497 175.647 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.5 m -69.57 -25.92 64.23 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 113.684 0.994 . . . . 0.0 113.684 177.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 -57.29 -30.51 64.79 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.401 1.081 . . . . 0.0 112.188 177.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 85.4 p -63.2 -31.73 72.95 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 175.701 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.2 mt -90.35 -10.45 43.99 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.949 2.1 . . . . 0.0 111.852 173.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 82.26 17.0 70.23 Favored Glycine 0 CA--C 1.531 1.072 0 C-N-CA 125.209 1.385 . . . . 0.0 113.212 -175.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 47.6 mt -105.22 171.11 7.49 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.771 1.628 . . . . 0.0 113.479 -172.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.3 mt -106.08 128.34 53.81 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 125.494 1.518 . . . . 0.0 110.914 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -93.05 132.11 11.09 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-O 119.235 -0.758 . . . . 0.0 112.784 179.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 52.2 mtpt -133.99 125.29 27.86 Favored 'General case' 0 N--CA 1.48 1.071 0 C-N-CA 124.867 1.267 . . . . 0.0 112.085 175.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 43.2 t -89.07 140.83 29.05 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 113.122 0.786 . . . . 0.0 113.122 176.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 82.7 mt -125.82 115.63 43.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.754 0 C-N-CA 126.387 1.875 . . . . 0.0 108.098 167.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 66.76 -79.59 0.13 Allowed Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.153 1.359 . . . . 0.0 112.459 -178.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -146.48 -3.26 0.64 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.866 2.067 . . . . 0.0 114.169 -179.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -106.51 135.52 47.88 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 125.029 1.332 . . . . 0.0 109.916 175.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.9 t -127.16 134.27 50.2 Favored 'General case' 0 C--O 1.235 0.296 0 C-N-CA 123.386 0.674 . . . . 0.0 111.158 -178.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -131.44 157.89 42.28 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 124.578 1.151 . . . . 0.0 112.442 -178.005 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.0 m -85.68 146.65 26.74 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 124.029 0.932 . . . . 0.0 111.612 173.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.2 m -140.85 161.78 23.16 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.746 0 C-N-CA 126.144 1.778 . . . . 0.0 110.74 172.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -77.91 -27.67 49.57 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 177.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 1.3 t30 . . . . . 0 C--O 1.249 1.051 0 CA-C-O 117.306 -1.33 . . . . 0.0 112.955 -170.525 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.823 0 CA-C-O 120.618 0.246 . . . . 0.0 110.989 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -130.33 159.45 36.92 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.814 1.646 . . . . 0.0 110.567 -179.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 21.7 p -98.66 154.47 17.93 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 114.036 1.124 . . . . 0.0 114.036 -176.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.0 m120 -138.6 106.38 5.64 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.796 2.038 . . . . 0.0 106.777 173.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 tt -54.06 -43.84 70.58 Favored 'General case' 0 N--CA 1.474 0.77 0 C-N-CA 124.818 1.247 . . . . 0.0 113.251 -168.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 4.7 tmm_? -63.08 -41.55 99.45 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.91 0.884 . . . . 0.0 112.024 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -69.87 -31.8 69.81 Favored 'General case' 0 N--CA 1.485 1.282 0 O-C-N 121.128 -0.982 . . . . 0.0 112.746 172.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.3 t -64.08 -49.05 73.8 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 123.963 0.905 . . . . 0.0 112.481 171.415 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -53.47 -49.12 68.11 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.0 0.92 . . . . 0.0 112.349 170.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 86.1 mt -62.06 -33.43 74.37 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 119.067 0.848 . . . . 0.0 112.556 177.498 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.3 m -71.6 -37.35 70.97 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 122.83 0.452 . . . . 0.0 112.213 177.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 63.9 m -74.38 -29.15 61.42 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.053 0.941 . . . . 0.0 112.936 172.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 46.1 ttp180 -56.4 -40.14 74.17 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.956 1.702 . . . . 0.0 112.31 179.409 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 50.9 m -68.12 -27.41 66.43 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 112.927 0.714 . . . . 0.0 112.927 174.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 44.5 mt -80.35 -18.97 47.54 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 124.777 1.231 . . . . 0.0 113.253 173.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.8 9.95 60.59 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 126.868 2.175 . . . . 0.0 113.275 -175.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 24.9 mt -107.99 163.83 12.8 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 125.99 1.716 . . . . 0.0 111.803 -171.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.1 mt -93.21 142.14 27.64 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.971 0.908 . . . . 0.0 110.511 173.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -106.72 146.22 16.04 Favored Glycine 0 CA--C 1.536 1.386 0 N-CA-C 115.594 0.997 . . . . 0.0 115.594 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.84 150.09 33.52 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 126.661 1.985 . . . . 0.0 109.844 168.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.5 t -85.92 140.54 30.27 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.816 -0.552 . . . . 0.0 109.785 168.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.8 mm -111.89 -41.53 4.15 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 N-CA-C 113.842 1.053 . . . . 0.0 113.842 -175.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.42 77.34 0.16 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 126.391 1.948 . . . . 0.0 111.834 -179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 67.4 mt-10 59.94 6.12 0.87 Allowed 'General case' 0 N--CA 1.48 1.037 0 N-CA-C 115.722 1.749 . . . . 0.0 115.722 -172.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -140.46 145.68 37.26 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 126.066 1.746 . . . . 0.0 111.956 -179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 41.6 t -73.71 141.21 46.4 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 125.739 1.615 . . . . 0.0 113.102 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -132.48 135.02 45.74 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.839 1.655 . . . . 0.0 109.547 169.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.6 m -94.71 151.05 19.59 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 123.319 0.648 . . . . 0.0 112.119 170.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 14.2 m -138.39 155.23 28.45 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 126.224 1.81 . . . . 0.0 111.083 174.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 65.5 m-85 -74.89 -40.1 61.12 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.251 1.176 0 C-N-CA 126.08 1.752 . . . . 0.0 111.134 -172.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 109.975 -0.379 . . . . 0.0 109.975 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -151.13 139.56 20.45 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 125.952 1.701 . . . . 0.0 108.057 178.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.1 t -154.32 148.77 26.19 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 171.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -137.03 121.55 18.35 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 127.495 2.318 . . . . 0.0 105.528 171.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -52.45 -52.14 55.61 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 125.642 1.577 . . . . 0.0 114.654 -167.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -67.48 -36.19 80.63 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 114.714 1.376 . . . . 0.0 114.714 179.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 62.4 mtp180 -68.32 -33.57 74.56 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 119.681 1.128 . . . . 0.0 112.37 171.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 43.5 t -64.96 -44.95 87.73 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.946 0.898 . . . . 0.0 111.924 169.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -54.54 -46.37 73.59 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 121.103 -0.998 . . . . 0.0 112.863 172.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 92.1 mt -73.8 -19.32 60.8 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 176.524 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 58.9 m -78.16 -38.32 43.87 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.119 0.968 . . . . 0.0 112.11 171.32 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.3 m -75.01 -29.3 60.8 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 124.225 1.01 . . . . 0.0 112.741 173.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.0 tpp85 -57.81 -32.81 67.94 Favored 'General case' 0 N--CA 1.472 0.637 0 CA-C-N 118.79 0.723 . . . . 0.0 112.111 173.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 20.7 m -57.34 -28.21 62.92 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-N 119.327 0.967 . . . . 0.0 113.043 171.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 43.3 mt -94.94 -9.19 34.83 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 126.215 1.806 . . . . 0.0 114.106 175.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.01 23.69 37.42 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 125.093 1.33 . . . . 0.0 112.677 -176.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 36.2 mt -123.39 167.96 13.15 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 126.318 1.847 . . . . 0.0 111.483 -169.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.7 mp -104.93 142.1 35.36 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.052 1.341 . . . . 0.0 109.579 174.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.54 142.92 16.42 Favored Glycine 0 N--CA 1.47 0.925 0 C-N-CA 123.458 0.552 . . . . 0.0 114.388 -174.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.82 136.93 36.15 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.222 1.409 . . . . 0.0 109.732 169.768 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 76.8 m -82.1 125.25 30.63 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 122.725 0.41 . . . . 0.0 110.178 169.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 27.8 mm -128.74 104.0 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 125.166 1.386 . . . . 0.0 107.821 -177.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 59.41 38.48 93.51 Favored Glycine 0 CA--C 1.537 1.409 0 O-C-N 121.221 -0.924 . . . . 0.0 112.908 -175.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.258 43.4 mt-10 60.51 19.01 8.82 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 127.276 2.23 . . . . 0.0 116.013 -171.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -105.85 130.25 53.86 Favored 'General case' 0 N--CA 1.469 0.522 0 O-C-N 120.446 -1.408 . . . . 0.0 109.952 168.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 42.5 t -73.46 127.33 32.4 Favored 'General case' 0 C--O 1.239 0.516 0 O-C-N 121.724 -0.61 . . . . 0.0 110.676 173.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -131.29 152.11 50.86 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 125.113 1.365 . . . . 0.0 111.141 173.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 26.6 m -122.84 127.31 48.88 Favored 'General case' 0 CA--C 1.539 0.529 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -169.41 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.4 m -111.55 150.15 14.01 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 125.296 1.439 . . . . 0.0 110.755 177.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -63.91 -38.5 91.31 Favored 'General case' 0 N--CA 1.474 0.77 0 O-C-N 121.231 -0.918 . . . . 0.0 112.699 179.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.253 1.287 0 C-N-CA 127.005 2.122 . . . . 0.0 111.685 -179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.774 0 N-CA-C 111.583 0.216 . . . . 0.0 111.583 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -130.29 163.52 26.6 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 127.157 2.183 . . . . 0.0 109.12 174.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 80.3 m -63.11 152.39 37.36 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 173.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 35.2 m120 -129.6 68.78 1.42 Allowed 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 125.996 1.718 . . . . 0.0 107.387 169.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -48.82 -47.38 42.43 Favored 'General case' 0 N--CA 1.463 0.175 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -168.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 -68.33 -38.91 81.99 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 113.099 0.778 . . . . 0.0 113.099 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -62.25 -40.23 95.48 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.607 1.094 . . . . 0.0 111.202 170.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.6 t -63.64 -45.73 88.88 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 124.061 0.944 . . . . 0.0 112.521 174.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -57.91 -41.3 82.39 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.662 1.185 . . . . 0.0 112.632 174.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 50.0 mt -69.28 -33.47 73.26 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 124.198 0.999 . . . . 0.0 112.343 174.195 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 34.3 t -67.81 -53.97 22.81 Favored 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 124.525 1.13 . . . . 0.0 111.61 176.337 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 62.4 m -61.23 -30.51 70.49 Favored 'General case' 0 CA--C 1.536 0.41 0 O-C-N 121.559 -0.713 . . . . 0.0 112.431 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -61.04 -32.64 72.26 Favored 'General case' 0 N--CA 1.473 0.675 0 C-N-CA 124.083 0.953 . . . . 0.0 113.204 177.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.2 t -67.34 -34.32 77.09 Favored 'General case' 0 N--CA 1.471 0.582 0 N-CA-C 112.721 0.637 . . . . 0.0 112.721 171.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 12.2 mt -77.41 -14.69 59.65 Favored 'General case' 0 CA--C 1.553 1.066 0 C-N-CA 125.029 1.332 . . . . 0.0 113.678 176.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.16 27.65 11.88 Favored Glycine 0 CA--C 1.536 1.397 0 C-N-CA 126.292 1.901 . . . . 0.0 113.184 -177.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 48.7 mt -133.15 -177.33 4.47 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 127.057 2.143 . . . . 0.0 112.087 -170.691 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 77.9 mt -123.87 146.17 48.59 Favored 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 126.914 2.086 . . . . 0.0 111.042 174.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.52 138.45 14.18 Favored Glycine 0 CA--C 1.535 1.335 0 C-N-CA 123.898 0.761 . . . . 0.0 114.454 -179.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.71 133.86 27.73 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 125.371 1.469 . . . . 0.0 112.225 170.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.9 t -73.06 126.91 31.08 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 124.156 0.982 . . . . 0.0 110.922 175.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.3 mt -145.72 107.03 0.77 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.718 0 C-N-CA 127.104 2.161 . . . . 0.0 108.419 -176.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 74.57 38.09 44.73 Favored Glycine 0 CA--C 1.539 1.537 0 N-CA-C 115.578 0.991 . . . . 0.0 115.578 173.51 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 58.28 30.3 19.31 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 126.394 1.878 . . . . 0.0 113.548 -173.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.3 mm-40 -142.6 166.56 24.34 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 129.706 3.203 . . . . 0.0 107.539 170.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.8 t -122.16 136.21 54.88 Favored 'General case' 0 CA--C 1.536 0.425 0 O-C-N 120.853 -1.154 . . . . 0.0 112.745 -179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 80.8 mttt -114.27 148.57 37.25 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 125.59 1.556 . . . . 0.0 111.685 -178.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 57.5 m -97.88 131.45 44.35 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.819 0.848 . . . . 0.0 111.598 171.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.5 m -141.12 167.64 16.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 125.728 1.611 . . . . 0.0 111.007 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -80.03 -31.77 39.57 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.888 0.699 . . . . 0.0 112.888 175.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 62.5 m-80 . . . . . 0 C--O 1.253 1.274 0 C-N-CA 125.828 1.651 . . . . 0.0 113.009 179.865 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 111.841 0.312 . . . . 0.0 111.841 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -137.75 10.52 2.89 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 114.726 1.38 . . . . 0.0 114.726 -179.549 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 52.8 t -137.65 153.52 49.83 Favored 'General case' 0 CA--C 1.541 0.631 0 N-CA-C 114.892 1.441 . . . . 0.0 114.892 -167.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 33.4 m120 -134.13 126.71 30.58 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 126.47 1.908 . . . . 0.0 108.008 171.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -53.49 -53.05 56.97 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 125.381 1.472 . . . . 0.0 114.041 -169.071 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -64.81 -41.17 96.0 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 118.551 0.614 . . . . 0.0 112.432 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 24.3 tpp180 -58.26 -40.22 81.28 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.239 1.016 . . . . 0.0 111.869 172.437 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 46.6 t -71.39 -42.3 68.54 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.578 1.151 . . . . 0.0 112.802 175.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -59.72 -41.48 90.96 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 120.891 -1.13 . . . . 0.0 112.471 173.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 83.8 mt -67.84 -34.92 77.67 Favored 'General case' 0 N--CA 1.469 0.5 0 C-N-CA 123.682 0.793 . . . . 0.0 112.162 173.079 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 26.4 t -65.38 -48.87 71.41 Favored 'General case' 0 N--CA 1.471 0.584 0 C-N-CA 124.348 1.059 . . . . 0.0 111.369 176.448 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.1 m -71.07 -30.11 66.15 Favored 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.564 0.746 . . . . 0.0 112.685 178.301 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.7 ttp180 -56.21 -38.19 70.69 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 119.382 0.992 . . . . 0.0 112.415 173.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 11.1 m -66.09 -16.56 64.04 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 173.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 41.8 mt -98.06 -13.5 21.0 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 125.485 1.514 . . . . 0.0 112.61 171.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.87 17.76 46.7 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 125.159 1.362 . . . . 0.0 113.636 -175.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 15.7 mt -120.06 168.52 11.09 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 126.481 1.913 . . . . 0.0 111.48 -173.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.2 mt -94.23 158.26 15.67 Favored 'General case' 0 N--CA 1.477 0.879 0 O-C-N 121.486 -0.759 . . . . 0.0 109.56 169.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.28 142.84 17.3 Favored Glycine 0 CA--C 1.531 1.082 0 CA-C-N 118.926 0.785 . . . . 0.0 114.561 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.77 148.04 38.31 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 124.964 1.305 . . . . 0.0 111.842 169.423 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.4 m -83.87 56.33 3.63 Favored 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 124.338 1.055 . . . . 0.0 112.621 176.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 50.4 mt -66.3 119.53 11.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 C-N-CA 124.9 1.28 . . . . 0.0 109.747 -177.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.83 16.72 78.1 Favored Glycine 0 CA--C 1.541 1.699 0 O-C-N 121.546 -0.721 . . . . 0.0 114.637 -170.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 69.2 mt-10 65.83 28.75 10.74 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 126.682 1.993 . . . . 0.0 113.621 -170.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 74.1 mt-10 -133.43 142.9 48.55 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 126.778 2.031 . . . . 0.0 109.349 179.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 52.3 t -73.52 121.51 20.72 Favored 'General case' 0 C--O 1.239 0.534 0 O-C-N 121.162 -0.961 . . . . 0.0 111.825 -177.495 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 mptt -131.37 144.42 51.21 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.695 1.598 . . . . 0.0 109.732 168.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 34.1 m -92.5 150.51 20.72 Favored 'General case' 0 CA--C 1.537 0.473 0 CA-C-O 121.258 0.551 . . . . 0.0 111.773 176.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.6 m -132.42 149.26 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.683 1.593 . . . . 0.0 110.642 179.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -84.83 -21.2 29.95 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 114.153 1.168 . . . . 0.0 114.153 -169.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.254 1.29 0 C-N-CA 126.215 1.806 . . . . 0.0 113.31 -175.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 120.454 0.168 . . . . 0.0 111.371 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 47.9 m-85 -132.3 154.49 49.64 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.285 1.834 . . . . 0.0 110.76 177.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 43.9 t -134.07 164.91 26.28 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 125.829 1.652 . . . . 0.0 111.331 -169.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -129.42 105.09 7.87 Favored 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 126.341 1.857 . . . . 0.0 108.898 -177.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 tt -59.38 -60.01 4.53 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.352 1.461 . . . . 0.0 114.571 -168.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -57.82 -42.28 83.98 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.708 0.803 . . . . 0.0 111.438 174.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.8 tpp180 -60.22 -44.74 94.91 Favored 'General case' 0 N--CA 1.477 0.906 0 CA-C-N 118.995 0.816 . . . . 0.0 111.801 179.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.1 t -59.36 -49.76 76.59 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.729 1.212 . . . . 0.0 111.456 172.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 79.9 mt-10 -58.15 -44.05 87.68 Favored 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 113.537 0.94 . . . . 0.0 113.537 176.747 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 84.1 mt -67.84 -37.86 82.43 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 123.622 0.769 . . . . 0.0 112.144 177.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.8 t -65.85 -43.13 89.41 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.054 0.542 . . . . 0.0 112.177 175.608 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.2 m -65.89 -28.87 69.27 Favored 'General case' 0 CA--C 1.545 0.771 0 O-C-N 121.385 -0.822 . . . . 0.0 112.972 173.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.9 ttm180 -58.1 -35.39 71.36 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 119.092 0.86 . . . . 0.0 112.46 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 69.1 m -66.05 -29.34 69.67 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.128 0.971 . . . . 0.0 113.332 174.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 47.6 mt -79.52 -16.4 56.06 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.17 0.988 . . . . 0.0 112.549 174.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 93.51 19.19 35.88 Favored Glycine 0 CA--C 1.531 1.07 0 C-N-CA 125.507 1.527 . . . . 0.0 112.504 -174.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 29.7 mt -116.63 178.56 4.29 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.48 1.512 . . . . 0.0 112.516 -171.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.4 mt -98.23 166.53 11.36 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 126.521 1.928 . . . . 0.0 108.201 167.053 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -143.12 159.48 27.45 Favored Glycine 0 N--CA 1.47 0.936 0 CA-C-N 119.229 0.922 . . . . 0.0 114.139 179.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -163.33 147.42 10.83 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.378 -1.072 . . . . 0.0 112.171 -177.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 90.1 m -88.15 121.37 30.47 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 167.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.7 mt -88.5 55.87 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.611 0 C-N-CA 124.53 1.132 . . . . 0.0 108.292 174.355 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 69.74 -69.65 0.57 Allowed Glycine 0 CA--C 1.533 1.192 0 C-N-CA 125.891 1.71 . . . . 0.0 113.717 -171.142 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -94.26 -26.39 16.64 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.624 1.57 . . . . 0.0 114.325 -172.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -145.25 145.61 31.35 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 113.633 0.975 . . . . 0.0 113.633 -171.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 20.9 t -68.65 147.98 51.11 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.709 1.604 . . . . 0.0 111.999 172.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -148.82 138.83 22.2 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.149 1.38 . . . . 0.0 110.038 168.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.6 m -91.77 145.59 24.45 Favored 'General case' 0 CA--C 1.537 0.452 0 C-N-CA 122.579 0.352 . . . . 0.0 111.48 174.095 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.4 m -140.18 158.05 25.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.91 1.284 . . . . 0.0 111.306 -175.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.6 m-85 -87.41 -36.55 17.68 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 115.144 1.535 . . . . 0.0 115.144 -172.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.1 m120 . . . . . 0 N--CA 1.481 1.093 0 C-N-CA 124.992 1.317 . . . . 0.0 113.952 -168.949 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.813 0 N-CA-C 111.466 0.172 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.3 m-85 -136.98 160.34 39.21 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.944 1.698 . . . . 0.0 110.824 175.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 53.1 t -145.14 156.23 43.76 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.226 1.01 . . . . 0.0 111.319 175.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -132.18 112.58 12.4 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 125.79 1.636 . . . . 0.0 108.383 177.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -52.36 -48.61 65.45 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.34 1.856 . . . . 0.0 114.301 -174.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.3 ttp180 -63.94 -45.38 89.46 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 123.494 0.718 . . . . 0.0 111.907 177.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -58.35 -39.53 79.79 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.732 0.813 . . . . 0.0 111.082 176.413 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.76 -49.73 60.91 Favored 'General case' 0 CA--C 1.541 0.605 0 C-N-CA 124.966 1.307 . . . . 0.0 113.035 175.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -54.36 -39.26 66.98 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.267 1.027 . . . . 0.0 112.36 174.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 88.8 mt -68.76 -44.6 73.37 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.584 0.753 . . . . 0.0 111.74 174.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.3 t -60.6 -43.71 97.11 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 118.951 0.796 . . . . 0.0 112.344 178.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.3 m -68.44 -25.89 65.23 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.796 0.839 . . . . 0.0 113.132 178.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 30.4 ttm180 -62.4 -31.74 72.47 Favored 'General case' 0 N--CA 1.473 0.677 0 O-C-N 121.123 -0.986 . . . . 0.0 113.144 -179.258 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.4 m -70.63 -18.0 62.87 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 113.873 1.064 . . . . 0.0 113.873 172.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 58.0 mt -90.05 -11.05 42.59 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.049 1.34 . . . . 0.0 112.418 170.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 84.55 21.55 56.02 Favored Glycine 0 CA--C 1.532 1.113 0 C-N-CA 125.162 1.363 . . . . 0.0 112.423 -174.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 57.8 mt -116.38 172.13 7.39 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 126.002 1.721 . . . . 0.0 112.337 -172.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 69.0 mt -102.34 153.9 19.57 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 125.613 1.565 . . . . 0.0 109.882 169.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -110.34 141.97 16.46 Favored Glycine 0 CA--C 1.535 1.294 0 N-CA-C 114.876 0.71 . . . . 0.0 114.876 179.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 23.2 mttt -135.27 144.73 46.97 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 127.057 2.143 . . . . 0.0 110.785 168.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.0 m -88.57 116.83 27.09 Favored 'General case' 0 CA--C 1.541 0.617 0 O-C-N 121.81 -0.556 . . . . 0.0 111.073 171.26 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 58.6 mt -140.33 127.79 23.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.61 0 C-N-CA 124.482 1.113 . . . . 0.0 109.256 -172.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 57.29 40.32 91.66 Favored Glycine 0 CA--C 1.534 1.233 0 O-C-N 121.333 -0.855 . . . . 0.0 112.299 -177.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 60.36 15.28 5.32 Favored 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 126.283 1.833 . . . . 0.0 115.02 -176.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 52.6 tt0 -125.03 145.71 49.77 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 125.384 1.474 . . . . 0.0 111.029 178.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 7.9 t -69.94 126.91 31.09 Favored 'General case' 0 C--O 1.237 0.443 0 O-C-N 121.236 -0.915 . . . . 0.0 110.241 169.167 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.9 mttt -129.56 135.54 48.71 Favored 'General case' 0 N--CA 1.469 0.525 0 C-N-CA 124.963 1.305 . . . . 0.0 110.353 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 33.8 m -100.4 144.19 29.7 Favored 'General case' 0 C--O 1.235 0.308 0 C-N-CA 123.611 0.764 . . . . 0.0 111.738 -178.541 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.4 m -140.43 156.51 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 C-N-CA 125.995 1.718 . . . . 0.0 110.339 -177.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 47.2 m-85 -70.22 -40.02 74.77 Favored 'General case' 0 CA--C 1.543 0.688 0 O-C-N 121.281 -0.887 . . . . 0.0 111.043 169.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 . . . . . 0 C--O 1.254 1.292 0 C-N-CA 129.713 3.205 . . . . 0.0 109.017 177.919 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.682 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 -136.47 119.86 16.89 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 123.862 0.865 . . . . 0.0 110.773 175.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 22.3 p -76.44 161.34 28.74 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.579 0.752 . . . . 0.0 112.327 174.618 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -137.49 76.56 1.59 Allowed 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 124.308 1.043 . . . . 0.0 108.592 -177.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -45.81 -49.9 14.65 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 126.258 1.823 . . . . 0.0 113.63 -168.317 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -69.03 -41.32 77.84 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 178.098 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 19.1 tpp180 -65.35 -34.09 77.51 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 120.373 1.442 . . . . 0.0 111.867 173.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.0 m -70.25 -38.18 75.08 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 127.879 2.472 . . . . 0.0 113.577 176.186 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -56.5 -34.26 66.8 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 120.908 -1.12 . . . . 0.0 112.373 171.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.6 mt -71.64 -29.03 64.18 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.795 0.838 . . . . 0.0 113.118 172.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.6 m -65.79 -42.98 90.06 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.08 0.855 . . . . 0.0 110.802 171.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 59.6 m -72.57 -35.04 67.86 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.16 0.584 . . . . 0.0 112.42 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.8 ttm180 -55.96 -30.72 62.16 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.976 1.31 . . . . 0.0 112.854 174.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 5.6 m -58.38 -37.58 75.57 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 124.289 1.036 . . . . 0.0 112.171 175.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.6 mt -90.93 -18.33 24.9 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.946 1.699 . . . . 0.0 113.234 178.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.56 22.45 24.02 Favored Glycine 0 CA--C 1.532 1.127 0 C-N-CA 125.167 1.365 . . . . 0.0 113.182 -173.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.7 mt -108.98 173.68 6.21 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 126.414 1.885 . . . . 0.0 111.707 179.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 31.3 mt -110.2 146.48 35.49 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.775 1.63 . . . . 0.0 110.317 172.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.62 136.84 12.91 Favored Glycine 0 CA--C 1.53 0.982 0 C-N-CA 123.85 0.738 . . . . 0.0 113.99 177.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 78.4 mttt -133.59 143.7 48.83 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 126.071 1.748 . . . . 0.0 110.51 169.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.5 t -87.04 134.26 33.51 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.442 1.019 . . . . 0.0 113.178 176.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.6 mt -141.63 120.87 10.58 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.613 0 C-N-CA 125.963 1.705 . . . . 0.0 109.908 174.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.45 40.68 97.98 Favored Glycine 0 CA--C 1.536 1.385 0 O-C-N 121.141 -0.975 . . . . 0.0 115.122 169.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 69.06 28.15 5.14 Favored 'General case' 0 N--CA 1.483 1.198 0 C-N-CA 125.597 1.559 . . . . 0.0 115.081 -176.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 44.4 tp10 -147.32 147.13 30.03 Favored 'General case' 0 CA--C 1.542 0.642 0 C-N-CA 126.482 1.913 . . . . 0.0 110.701 174.727 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 63.7 m -89.82 132.76 35.08 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 120.899 -1.125 . . . . 0.0 112.885 172.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.5 ttpt -109.77 138.11 46.61 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 126.391 1.876 . . . . 0.0 110.884 172.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.9 m -95.68 140.76 30.04 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.23 0.612 . . . . 0.0 112.384 173.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.9 m -143.19 159.81 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 125.308 1.443 . . . . 0.0 112.257 -178.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 72.1 m-85 -78.95 -40.57 31.55 Favored 'General case' 0 N--CA 1.479 1.014 0 O-C-N 121.289 -0.882 . . . . 0.0 111.887 169.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 26.0 m120 . . . . . 0 C--O 1.254 1.311 0 C-N-CA 128.717 2.807 . . . . 0.0 110.27 -175.669 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.757 0 CA-C-O 120.26 0.076 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -81.01 17.26 1.25 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 126.654 1.982 . . . . 0.0 113.052 -175.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.3 p -77.57 157.27 30.4 Favored 'General case' 0 CA--C 1.549 0.933 0 O-C-N 120.811 -1.181 . . . . 0.0 111.524 176.516 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -126.55 92.6 3.59 Favored 'General case' 0 N--CA 1.473 0.689 0 O-C-N 120.342 -1.474 . . . . 0.0 109.432 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -58.08 -42.89 86.57 Favored 'General case' 0 N--CA 1.474 0.739 0 O-C-N 121.313 -0.867 . . . . 0.0 112.289 -170.069 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -55.31 -41.65 72.67 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.667 0.787 . . . . 0.0 112.61 177.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 4.7 tpp180 -75.71 -39.46 57.35 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 125.222 1.409 . . . . 0.0 112.484 175.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.7 t -56.26 -40.03 73.54 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.775 0.83 . . . . 0.0 112.001 175.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 60.8 mt-10 -56.8 -49.9 73.94 Favored 'General case' 0 N--CA 1.475 0.791 0 N-CA-C 113.603 0.964 . . . . 0.0 113.603 170.713 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 96.0 mt -63.68 -39.56 94.62 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 124.038 0.935 . . . . 0.0 111.058 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 12.0 t -66.43 -43.61 85.18 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 124.395 1.078 . . . . 0.0 112.302 178.246 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 93.9 m -70.38 -26.95 63.95 Favored 'General case' 0 CA--C 1.539 0.543 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 173.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.8 tpp180 -67.6 -24.78 65.52 Favored 'General case' 0 N--CA 1.473 0.717 0 O-C-N 120.775 -1.203 . . . . 0.0 112.931 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.5 m -64.2 -36.95 85.74 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 118.934 0.788 . . . . 0.0 111.494 168.691 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 23.6 mt -75.05 -11.12 60.03 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.11 1.364 . . . . 0.0 112.964 169.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 88.77 19.82 49.89 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 126.96 2.219 . . . . 0.0 113.467 177.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 23.3 mt -119.13 169.13 10.2 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.008 1.723 . . . . 0.0 113.158 -168.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 mp -82.66 148.09 28.14 Favored 'General case' 0 N--CA 1.467 0.418 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 168.071 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -116.99 137.87 13.84 Favored Glycine 0 N--CA 1.472 1.081 0 CA-C-N 118.816 0.735 . . . . 0.0 112.685 176.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.12 151.33 40.6 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 126.05 1.74 . . . . 0.0 111.534 176.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.9 t -85.9 128.01 34.73 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 122.668 0.387 . . . . 0.0 110.833 172.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.4 mt -127.89 108.75 18.51 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 124.376 1.07 . . . . 0.0 109.102 -178.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 72.11 -92.87 0.57 Allowed Glycine 0 CA--C 1.522 0.519 0 N-CA-C 110.134 -1.186 . . . . 0.0 110.134 -170.402 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -138.88 17.51 2.66 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 125.728 1.611 . . . . 0.0 114.034 -171.663 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -147.5 159.94 43.17 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 125.028 1.331 . . . . 0.0 112.151 -176.129 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 43.3 t -80.45 137.27 36.46 Favored 'General case' 0 CA--C 1.546 0.797 0 CA-C-O 121.542 0.687 . . . . 0.0 111.497 173.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 83.3 mttt -138.63 152.21 47.91 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 126.705 2.002 . . . . 0.0 110.507 173.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 9.5 m -115.41 140.19 49.36 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 123.601 0.76 . . . . 0.0 112.622 -175.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.7 m -133.43 159.08 43.0 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.663 0 C-N-CA 125.721 1.608 . . . . 0.0 111.974 -173.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -88.05 -21.77 24.57 Favored 'General case' 0 CA--C 1.544 0.747 0 N-CA-C 114.594 1.331 . . . . 0.0 114.594 -178.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.9 t30 . . . . . 0 C--O 1.259 1.57 0 C-N-CA 128.581 2.753 . . . . 0.0 111.374 172.156 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.91 0 CA-C-O 119.308 -0.377 . . . . 0.0 110.693 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -136.08 22.51 3.27 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.773 1.398 . . . . 0.0 114.773 -169.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.6 p -89.17 144.37 26.16 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 120.241 -1.537 . . . . 0.0 111.771 169.06 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -137.97 104.27 5.21 Favored 'General case' 0 CA--C 1.55 0.943 0 N-CA-C 105.818 -1.919 . . . . 0.0 105.818 169.347 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -57.45 -48.91 77.9 Favored 'General case' 0 N--CA 1.481 1.081 0 N-CA-C 114.819 1.414 . . . . 0.0 114.819 -168.144 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 54.2 ttp180 -65.61 -39.92 92.05 Favored 'General case' 0 N--CA 1.482 1.139 0 O-C-N 121.665 -0.647 . . . . 0.0 111.8 -177.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 25.4 mmm180 -62.94 -41.4 99.48 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 124.084 0.953 . . . . 0.0 112.224 170.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 41.8 t -62.37 -41.98 99.05 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 124.197 0.999 . . . . 0.0 111.824 177.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 87.0 mt-10 -60.31 -45.06 94.72 Favored 'General case' 0 CA--C 1.542 0.637 0 O-C-N 121.372 -0.83 . . . . 0.0 112.447 172.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 91.9 mt -67.04 -38.21 85.47 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.401 1.001 . . . . 0.0 112.797 177.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 43.5 t -67.76 -48.74 65.53 Favored 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 125.553 1.541 . . . . 0.0 111.664 178.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.0 m -67.69 -28.75 67.95 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.16 -0.962 . . . . 0.0 112.564 174.602 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.2 tpm_? -59.13 -34.9 72.58 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 119.863 1.21 . . . . 0.0 112.061 174.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.7 m -69.93 -15.92 63.13 Favored 'General case' 0 CA--C 1.542 0.666 0 N-CA-C 114.308 1.225 . . . . 0.0 114.308 172.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 45.7 mt -94.31 -12.57 27.77 Favored 'General case' 0 CA--C 1.549 0.924 0 C-N-CA 125.127 1.371 . . . . 0.0 112.532 169.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 89.88 18.61 50.45 Favored Glycine 0 CA--C 1.535 1.294 0 C-N-CA 125.621 1.581 . . . . 0.0 113.46 -175.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 55.4 mt -116.15 171.91 7.51 Favored 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 125.651 1.58 . . . . 0.0 113.39 -170.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 54.0 mt -99.55 124.09 44.42 Favored 'General case' 0 N--CA 1.466 0.368 0 C-N-CA 125.031 1.333 . . . . 0.0 109.866 174.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -86.97 144.3 19.35 Favored Glycine 0 CA--C 1.531 1.078 0 CA-C-N 118.523 0.601 . . . . 0.0 113.725 177.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.89 150.2 34.76 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.519 1.928 . . . . 0.0 111.471 173.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.8 t -81.49 118.99 23.18 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 119.03 0.832 . . . . 0.0 109.104 166.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.3 mt -142.91 131.38 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.855 0 C-N-CA 125.496 1.518 . . . . 0.0 108.789 -179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 60.22 39.75 96.38 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 123.855 0.741 . . . . 0.0 113.298 -178.477 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 22.2 mm-40 57.42 16.93 3.48 Favored 'General case' 0 CA--C 1.548 0.9 0 N-CA-C 116.112 1.893 . . . . 0.0 116.112 -171.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -130.26 161.35 31.42 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 126.318 1.847 . . . . 0.0 111.902 -177.798 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 16.2 t -71.73 132.89 45.16 Favored 'General case' 0 CA--C 1.538 0.487 0 O-C-N 120.783 -1.198 . . . . 0.0 109.214 167.512 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 ttmm -128.22 128.79 45.37 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.836 1.254 . . . . 0.0 109.711 170.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 25.9 m -89.23 143.54 26.76 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 123.584 0.552 . . . . 0.0 110.15 169.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 20.8 m -134.09 154.83 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 C-N-CA 124.984 1.313 . . . . 0.0 110.58 174.075 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -75.5 -41.69 54.74 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 122.981 0.512 . . . . 0.0 111.796 175.402 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.255 1.342 0 C-N-CA 129.821 3.248 . . . . 0.0 110.77 173.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.473 0.7 0 N-CA-C 112.761 0.652 . . . . 0.0 112.761 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -132.04 113.73 13.72 Favored 'General case' 0 C--O 1.238 0.478 0 CA-C-N 119.947 1.249 . . . . 0.0 112.193 -167.67 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 31.9 p -90.71 163.5 14.48 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 123.379 0.671 . . . . 0.0 111.69 170.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -126.37 88.03 2.77 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 125.012 1.325 . . . . 0.0 108.392 -179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -53.74 -42.84 68.59 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 124.314 1.046 . . . . 0.0 111.758 -178.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.49 ' HE ' ' HA ' ' A' ' 6' ' ' ARG . 0.6 OUTLIER -61.9 -49.93 74.23 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.33 0.652 . . . . 0.0 111.979 176.542 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 31.9 ttm180 -64.45 -36.9 85.67 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 118.185 0.448 . . . . 0.0 111.312 178.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.8 t -62.59 -47.71 82.62 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.243 1.417 . . . . 0.0 111.676 175.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 59.0 mt-10 -55.1 -49.29 72.09 Favored 'General case' 0 N--CA 1.47 0.538 0 O-C-N 121.171 -0.956 . . . . 0.0 112.177 172.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 95.5 mt -71.12 -28.83 64.58 Favored 'General case' 0 CA--C 1.543 0.678 0 C-N-CA 123.324 0.649 . . . . 0.0 112.418 -179.374 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.1 m -68.78 -43.07 76.47 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 124.148 0.979 . . . . 0.0 111.248 172.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.6 m -67.74 -31.44 71.36 Favored 'General case' 0 CA--C 1.542 0.665 0 O-C-N 121.444 -0.785 . . . . 0.0 112.228 172.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.0 ttm180 -60.24 -31.89 70.62 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.642 1.177 . . . . 0.0 113.249 176.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 47.9 t -66.14 -34.57 78.35 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.182 0.993 . . . . 0.0 112.761 171.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.8 mt -76.33 -26.35 55.67 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.109 0.964 . . . . 0.0 112.041 170.796 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 92.85 22.92 26.87 Favored Glycine 0 CA--C 1.533 1.157 0 C-N-CA 125.654 1.597 . . . . 0.0 112.809 -173.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 31.1 mt -110.58 169.28 8.86 Favored 'General case' 0 CA--C 1.539 0.556 0 C-N-CA 126.938 2.095 . . . . 0.0 110.538 179.123 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 45.6 mt -93.19 152.94 18.91 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 118.419 -0.8 . . . . 0.0 109.698 168.376 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -118.54 142.37 16.83 Favored Glycine 0 N--CA 1.474 1.172 0 CA-C-N 119.079 0.854 . . . . 0.0 114.594 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -138.45 144.13 39.98 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 128.231 2.612 . . . . 0.0 111.085 -178.157 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 40.5 t -89.77 130.73 35.99 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.354 0.525 . . . . 0.0 109.788 167.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 72.8 mt -139.82 116.97 10.04 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.593 0 C-N-CA 125.068 1.347 . . . . 0.0 107.992 176.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 56.64 56.23 25.74 Favored Glycine 0 CA--C 1.534 1.258 0 C-N-CA 124.278 0.942 . . . . 0.0 113.451 -178.298 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 80.1 mt-10 56.91 22.03 6.75 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 127.186 2.194 . . . . 0.0 114.471 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -143.78 141.83 30.61 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 120.735 -1.228 . . . . 0.0 113.244 -173.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 46.3 t -74.61 135.88 42.02 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.428 1.091 . . . . 0.0 113.056 -178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -136.94 138.87 41.08 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.535 1.534 . . . . 0.0 110.752 169.071 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 31.8 m -94.9 156.6 16.27 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 123.439 0.695 . . . . 0.0 112.808 174.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.9 m -136.33 143.94 34.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.026 0 C-N-CA 125.675 1.59 . . . . 0.0 111.061 177.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 80.9 m-85 -79.49 23.53 0.4 Allowed 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 126.577 1.951 . . . . 0.0 116.213 -169.219 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.0 m120 . . . . . 0 C--O 1.252 1.196 0 C-N-CA 125.014 1.326 . . . . 0.0 113.862 -174.122 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.609 0 CA-C-O 119.29 -0.385 . . . . 0.0 112.019 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -146.46 140.72 26.45 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 124.623 1.169 . . . . 0.0 111.821 -170.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 14.5 t -91.92 145.72 24.32 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 124.356 1.062 . . . . 0.0 112.523 176.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -145.64 75.13 1.41 Allowed 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 106.719 -1.585 . . . . 0.0 106.719 169.171 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.65 -45.61 91.5 Favored 'General case' 0 N--CA 1.471 0.606 0 C-N-CA 124.53 1.132 . . . . 0.0 113.194 -167.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 35.3 ttp180 -62.51 -42.9 99.82 Favored 'General case' 0 N--CA 1.477 0.878 0 O-C-N 121.327 -0.858 . . . . 0.0 112.603 173.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 29.8 ttm180 -62.11 -38.13 87.73 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 119.035 0.834 . . . . 0.0 111.205 174.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 49.8 t -63.42 -49.42 73.82 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.283 1.433 . . . . 0.0 111.045 174.166 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.433 ' HG2' ' H ' ' A' ' 19' ' ' GLY . 16.3 mt-10 -58.53 -45.44 88.85 Favored 'General case' 0 N--CA 1.476 0.854 0 O-C-N 120.295 -1.503 . . . . 0.0 113.287 173.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 94.3 mt -67.43 -19.76 65.42 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.928 0.891 . . . . 0.0 112.515 177.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.3 m -78.3 -48.41 15.71 Favored 'General case' 0 CA--C 1.535 0.404 0 C-N-CA 124.156 0.982 . . . . 0.0 110.941 168.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 60.6 m -67.14 -25.61 66.26 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.04 0.936 . . . . 0.0 113.429 -179.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.4 ttm180 -61.94 -28.85 69.83 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.335 1.054 . . . . 0.0 112.816 174.674 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 19.3 t -64.6 -43.89 92.37 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.065 0.946 . . . . 0.0 111.282 169.238 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 36.3 mt -70.19 -20.86 63.09 Favored 'General case' 0 CA--C 1.538 0.49 0 C-N-CA 124.384 1.074 . . . . 0.0 112.827 178.372 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 95.14 20.6 27.46 Favored Glycine 0 CA--C 1.536 1.363 0 C-N-CA 125.299 1.428 . . . . 0.0 113.329 -176.462 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 39.0 mt -120.38 -172.64 2.4 Favored 'General case' 0 CA--C 1.547 0.827 0 C-N-CA 126.545 1.938 . . . . 0.0 112.087 -171.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 73.1 mt -111.35 166.39 11.15 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 127.664 2.386 . . . . 0.0 108.55 168.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.433 ' H ' ' HG2' ' A' ' 9' ' ' GLU . . . -132.44 146.41 18.15 Favored Glycine 0 N--CA 1.472 1.088 0 C-N-CA 124.33 0.967 . . . . 0.0 113.903 -176.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 70.6 mmtt -143.6 149.2 37.01 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 128.933 2.893 . . . . 0.0 112.03 -173.488 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 97.9 m -98.54 110.1 22.75 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.256 1.022 . . . . 0.0 110.77 168.025 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 80.3 mt -118.87 116.86 52.43 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 124.023 0.929 . . . . 0.0 109.619 -179.503 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 68.82 28.69 72.88 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 123.785 0.707 . . . . 0.0 114.098 -174.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 72.05 10.66 6.08 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 128.154 2.582 . . . . 0.0 115.603 -170.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 43.9 tp10 -121.8 136.78 54.94 Favored 'General case' 0 N--CA 1.475 0.813 0 CA-C-N 119.786 1.176 . . . . 0.0 113.039 -178.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 27.4 t -61.28 134.99 57.56 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 177.443 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.5 ttmt -145.12 136.36 25.0 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 126.107 1.763 . . . . 0.0 111.318 174.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.3 m -93.86 140.1 30.08 Favored 'General case' 0 N--CA 1.47 0.569 0 N-CA-C 113.353 0.871 . . . . 0.0 113.353 177.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.6 m -136.51 157.47 36.95 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 126.198 1.799 . . . . 0.0 111.107 -174.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 73.4 m-85 -77.97 -36.06 49.51 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.601 -0.687 . . . . 0.0 111.328 171.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.251 1.18 0 C-N-CA 125.917 1.687 . . . . 0.0 113.475 177.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.781 0 CA-C-O 118.587 -0.721 . . . . 0.0 110.336 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -144.08 135.85 26.12 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 125.227 1.411 . . . . 0.0 111.517 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.4 m -60.91 148.68 38.85 Favored 'General case' 0 CA--C 1.542 0.662 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -175.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 25.7 t-20 -144.45 111.79 6.01 Favored 'General case' 0 C--O 1.236 0.394 0 C-N-CA 125.81 1.644 . . . . 0.0 107.814 165.57 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -55.81 -43.22 76.7 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 123.504 0.722 . . . . 0.0 111.2 -175.188 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 14.7 mmm180 -65.07 -41.86 94.7 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.536 1.31 . . . . 0.0 114.536 175.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 59.5 ttp85 -60.66 -36.01 77.64 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 119.94 1.245 . . . . 0.0 111.357 172.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 47.2 t -68.37 -43.95 76.23 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.081 0.952 . . . . 0.0 112.922 177.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 64.8 mt-10 -57.78 -43.5 85.62 Favored 'General case' 0 N--CA 1.477 0.898 0 O-C-N 120.887 -1.133 . . . . 0.0 112.5 173.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 97.8 mt -70.88 -27.38 63.77 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.314 1.046 . . . . 0.0 113.001 176.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.1 t -69.95 -52.28 25.77 Favored 'General case' 0 N--CA 1.468 0.454 0 C-N-CA 123.853 0.861 . . . . 0.0 110.494 172.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.3 m -64.21 -27.23 68.92 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 113.56 0.948 . . . . 0.0 113.56 -179.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 43.8 ttp180 -62.01 -23.41 66.42 Favored 'General case' 0 N--CA 1.475 0.818 0 O-C-N 121.141 -0.974 . . . . 0.0 113.28 174.088 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 26.7 t -62.94 -34.82 78.27 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 124.546 1.139 . . . . 0.0 113.07 171.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 37.1 mt -81.21 -32.21 33.57 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.401 1.08 . . . . 0.0 111.197 169.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 109.3 20.37 7.89 Favored Glycine 0 CA--C 1.535 1.329 0 C-N-CA 126.339 1.923 . . . . 0.0 113.669 -176.358 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 32.8 mt -115.09 172.48 7.04 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 126.036 1.734 . . . . 0.0 112.796 -171.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.4 mt -87.87 156.92 19.14 Favored 'General case' 0 N--CA 1.469 0.509 0 C-N-CA 124.215 1.006 . . . . 0.0 109.428 168.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -126.26 149.11 17.35 Favored Glycine 0 CA--C 1.53 0.989 0 C-N-CA 124.135 0.874 . . . . 0.0 113.29 179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.78 152.64 39.87 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.676 1.99 . . . . 0.0 110.509 171.839 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 47.2 t -86.07 114.49 22.98 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 122.557 0.343 . . . . 0.0 110.741 168.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 60.9 mt -135.42 113.6 15.44 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.65 0 C-N-CA 124.961 1.304 . . . . 0.0 109.891 -176.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.55 29.31 55.76 Favored Glycine 0 CA--C 1.534 1.278 0 C-N-CA 124.086 0.851 . . . . 0.0 113.396 -174.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . 0.264 6.7 mt-10 55.27 39.23 31.27 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 125.85 1.66 . . . . 0.0 112.679 -169.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 51.9 mm-40 -139.68 144.89 37.8 Favored 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 127.614 2.366 . . . . 0.0 111.072 173.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 33.3 t -71.24 132.61 45.2 Favored 'General case' 0 CA--C 1.542 0.641 0 O-C-N 121.784 -0.573 . . . . 0.0 110.133 167.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.1 mtpp -135.58 150.26 49.64 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.38 1.472 . . . . 0.0 111.499 170.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 13.4 m -107.55 145.53 33.07 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -179.251 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.7 m -138.7 154.96 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 124.734 1.214 . . . . 0.0 113.709 -169.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -102.33 -22.19 14.16 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 125.447 1.499 . . . . 0.0 113.031 177.632 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.6 m120 . . . . . 0 C--O 1.251 1.179 0 C-N-CA 125.322 1.449 . . . . 0.0 112.709 -174.127 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 111.623 0.231 . . . . 0.0 111.623 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 24.9 m-85 -127.09 153.82 45.49 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 125.879 1.672 . . . . 0.0 110.144 179.167 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 40.5 t -84.78 157.8 20.9 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.008 0.923 . . . . 0.0 112.608 -178.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -130.18 106.89 8.9 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 125.226 1.41 . . . . 0.0 108.392 178.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -57.69 -43.31 85.01 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.129 1.372 . . . . 0.0 113.066 -168.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.0 ttp180 -62.41 -42.69 99.63 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.748 0.819 . . . . 0.0 112.072 -179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -72.2 -39.4 68.62 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.73 0.812 . . . . 0.0 111.577 176.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 39.9 t -56.58 -46.27 80.88 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.88 0.872 . . . . 0.0 111.7 172.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -56.58 -46.28 80.88 Favored 'General case' 0 N--CA 1.47 0.564 0 C-N-CA 123.694 0.797 . . . . 0.0 112.768 172.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.33 -40.13 95.29 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.686 1.13 . . . . 0.0 112.097 178.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 73.8 m -67.42 -40.86 85.54 Favored 'General case' 0 N--CA 1.466 0.328 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 175.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 75.6 m -69.28 -35.0 75.59 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 118.859 0.754 . . . . 0.0 112.086 174.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 1.1 tpp180 -56.58 -36.9 69.89 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 119.24 0.927 . . . . 0.0 112.45 178.15 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.1 t -66.59 -30.48 70.78 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 123.977 0.911 . . . . 0.0 113.039 174.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 50.1 mt -78.84 -10.17 59.7 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 124.603 1.161 . . . . 0.0 113.352 172.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 91.35 14.27 57.46 Favored Glycine 0 CA--C 1.534 1.243 0 C-N-CA 125.932 1.73 . . . . 0.0 113.299 -174.151 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 28.9 mt -116.9 170.5 8.57 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.863 1.665 . . . . 0.0 112.751 -168.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 40.7 mt -102.64 145.15 30.09 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.271 1.029 . . . . 0.0 110.541 168.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -101.16 147.09 17.64 Favored Glycine 0 CA--C 1.529 0.909 0 N-CA-C 114.375 0.51 . . . . 0.0 114.375 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.1 mptt -143.82 144.85 31.96 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 126.705 2.002 . . . . 0.0 109.112 167.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 87.1 m -84.25 126.54 33.25 Favored 'General case' 0 CA--C 1.534 0.352 0 O-C-N 121.671 -0.643 . . . . 0.0 109.677 169.35 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 36.1 mm -136.56 125.01 35.58 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 C-N-CA 126.376 1.87 . . . . 0.0 108.516 -175.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 52.4 44.7 58.8 Favored Glycine 0 CA--C 1.542 1.731 0 O-C-N 121.177 -0.952 . . . . 0.0 113.464 -176.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 56.57 21.85 6.1 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 127.184 2.194 . . . . 0.0 116.589 -175.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -138.53 146.62 42.14 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.934 1.293 . . . . 0.0 112.509 174.107 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.7 t -63.36 136.58 57.74 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.218 -0.926 . . . . 0.0 113.06 177.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.6 tppt? -137.28 132.79 34.22 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 126.936 2.094 . . . . 0.0 108.854 172.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 56.1 m -97.01 105.96 18.21 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 123.377 0.671 . . . . 0.0 111.394 -178.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 12.5 m -145.19 140.05 22.51 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 C-N-CA 125.592 1.557 . . . . 0.0 111.815 -179.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -70.95 -25.58 62.8 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.073 0.549 . . . . 0.0 111.973 174.528 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 . . . . . 0 C--O 1.248 1.005 0 C-N-CA 127.29 2.236 . . . . 0.0 114.198 177.733 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.843 0 CA-C-O 121.619 0.723 . . . . 0.0 112.613 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -136.37 152.7 50.93 Favored 'General case' 0 C--O 1.237 0.429 0 C-N-CA 126.443 1.897 . . . . 0.0 110.701 -177.05 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 29.3 p -136.67 167.26 21.75 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.353 1.061 . . . . 0.0 113.379 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -144.94 99.8 3.39 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.696 1.998 . . . . 0.0 109.088 -178.06 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -53.02 -41.89 65.14 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 125.374 1.47 . . . . 0.0 112.863 -174.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 2.5 tpm_? -59.07 -43.93 91.81 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 124.175 0.99 . . . . 0.0 112.05 177.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 77.9 mtt180 -71.73 -39.52 70.03 Favored 'General case' 0 CA--C 1.532 0.259 0 C-N-CA 124.583 1.153 . . . . 0.0 111.642 178.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 40.8 t -60.24 -44.2 95.44 Favored 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 123.937 0.895 . . . . 0.0 112.037 174.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -57.57 -44.33 85.21 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.79 0.836 . . . . 0.0 112.487 172.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 85.9 mt -68.03 -29.32 68.28 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 176.054 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 32.9 t -68.56 -42.53 78.23 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.834 0.854 . . . . 0.0 111.969 172.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.6 m -74.24 -25.23 59.52 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.637 1.175 . . . . 0.0 113.35 177.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.78 -38.45 64.5 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.777 1.231 . . . . 0.0 112.68 176.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 16.2 m -61.18 -33.57 73.67 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.604 1.162 . . . . 0.0 113.374 176.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.6 mt -81.51 -23.26 37.42 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.577 1.551 . . . . 0.0 112.161 177.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.03 22.66 24.75 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.925 1.25 . . . . 0.0 113.234 -171.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 58.8 mt -118.23 171.34 8.19 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 125.49 1.516 . . . . 0.0 112.198 -171.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -99.05 141.49 31.74 Favored 'General case' 0 N--CA 1.464 0.271 0 C-N-CA 124.262 1.025 . . . . 0.0 109.708 170.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -97.52 147.12 18.53 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.806 0.717 . . . . 0.0 113.715 176.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.92 144.12 30.92 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 126.467 1.907 . . . . 0.0 109.337 168.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.6 t -79.39 126.74 31.21 Favored 'General case' 0 CA--C 1.538 0.518 0 O-C-N 121.524 -0.735 . . . . 0.0 109.233 167.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 39.9 mm -131.61 100.06 4.2 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 126.241 1.817 . . . . 0.0 108.023 -175.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 65.13 64.91 3.2 Favored Glycine 0 CA--C 1.534 1.222 0 C-N-CA 124.065 0.84 . . . . 0.0 113.012 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 59.2 mt-10 63.37 3.82 1.52 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 127.469 2.308 . . . . 0.0 116.199 -177.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -149.15 141.74 24.41 Favored 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 119.826 1.194 . . . . 0.0 113.401 -169.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 53.9 t -59.62 144.62 47.22 Favored 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 114.619 1.34 . . . . 0.0 114.619 -178.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -141.97 145.74 34.82 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 127.69 2.396 . . . . 0.0 109.272 169.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 23.0 m -102.35 155.39 18.27 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.762 0.825 . . . . 0.0 112.596 174.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.5 m -144.39 155.85 15.0 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 C-N-CA 126.114 1.766 . . . . 0.0 111.931 175.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 62.3 m-85 -72.63 -20.28 61.3 Favored 'General case' 0 CA--C 1.543 0.677 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 179.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 41.9 m-80 . . . . . 0 N--CA 1.48 1.028 0 C-N-CA 125.996 1.718 . . . . 0.0 113.303 -170.468 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.834 0 N-CA-C 110.574 -0.158 . . . . 0.0 110.574 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 28.6 m-85 -123.55 92.0 3.59 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 125.224 1.409 . . . . 0.0 110.096 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.7 p -70.09 166.47 19.76 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 124.166 0.986 . . . . 0.0 113.389 178.043 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.7 m120 -140.51 109.55 6.1 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.802 1.241 . . . . 0.0 109.985 175.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -57.86 -39.81 78.65 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.715 1.206 . . . . 0.0 113.992 -168.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.5 ttp180 -61.86 -48.53 80.14 Favored 'General case' 0 N--CA 1.484 1.233 0 CA-C-N 120.045 1.293 . . . . 0.0 112.342 175.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 16.7 tpp180 -62.94 -35.57 80.55 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.324 0.649 . . . . 0.0 111.408 175.629 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.6 t -63.34 -51.41 66.07 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.735 0.814 . . . . 0.0 112.456 171.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -58.25 -39.01 78.03 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 124.658 1.183 . . . . 0.0 112.854 177.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 87.1 mt -67.94 -40.82 83.21 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 124.36 1.064 . . . . 0.0 111.962 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.5 m -65.81 -31.44 72.4 Favored 'General case' 0 N--CA 1.471 0.591 0 O-C-N 121.202 -0.936 . . . . 0.0 112.517 177.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.5 m -79.65 -30.14 41.17 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.032 0.933 . . . . 0.0 112.764 168.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -60.04 -35.51 75.27 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-N 119.604 1.093 . . . . 0.0 111.631 175.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 61.1 m -60.28 -27.77 67.54 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 114.17 1.174 . . . . 0.0 114.17 169.607 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 25.8 mt -89.7 -17.5 28.2 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 125.081 1.353 . . . . 0.0 112.376 176.701 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 94.65 23.9 19.73 Favored Glycine 0 CA--C 1.539 1.557 0 C-N-CA 125.941 1.734 . . . . 0.0 113.407 -175.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 41.3 mt -126.4 164.6 20.74 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 126.185 1.794 . . . . 0.0 112.618 -170.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.0 mp -90.38 146.64 24.01 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.056 0.543 . . . . 0.0 109.787 169.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -99.47 149.34 18.91 Favored Glycine 0 CA--C 1.531 1.088 0 C-N-CA 123.469 0.557 . . . . 0.0 114.381 177.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.45 132.29 20.11 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 126.188 1.795 . . . . 0.0 109.846 169.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 41.6 t -78.66 114.97 18.05 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 118.75 0.705 . . . . 0.0 110.879 169.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 87.3 mt -136.18 115.89 16.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.524 0 C-N-CA 125.788 1.635 . . . . 0.0 108.282 -175.517 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 71.23 35.79 63.85 Favored Glycine 0 CA--C 1.531 1.037 0 CA-C-O 119.523 -0.598 . . . . 0.0 113.042 -175.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 64.3 mt-10 64.68 2.96 1.81 Allowed 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 127.053 2.141 . . . . 0.0 116.375 -173.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 56.8 mm-40 -119.8 155.59 32.27 Favored 'General case' 0 N--CA 1.47 0.541 0 C-N-CA 125.169 1.388 . . . . 0.0 111.572 177.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 44.0 t -81.04 110.67 16.79 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 123.98 0.912 . . . . 0.0 112.18 -179.6 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -95.51 151.5 19.25 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.153 0.981 . . . . 0.0 109.699 167.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 18.0 m -116.36 145.75 42.98 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 123.129 0.572 . . . . 0.0 112.173 173.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.0 m -129.88 150.78 34.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.984 0 C-N-CA 125.653 1.581 . . . . 0.0 111.708 179.084 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 52.7 m-85 -71.32 -34.62 70.73 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 113.478 0.918 . . . . 0.0 113.478 -176.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 33.7 m120 . . . . . 0 C--O 1.249 1.058 0 C-N-CA 128.187 2.595 . . . . 0.0 110.301 175.213 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 119.374 -0.346 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.3 m-85 -139.84 128.88 23.61 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.513 1.125 . . . . 0.0 112.105 -176.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 40.9 t -129.75 147.16 51.5 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 124.126 0.97 . . . . 0.0 113.412 177.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -119.73 97.29 5.56 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 125.664 1.585 . . . . 0.0 108.955 -177.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 tt -58.5 -47.5 83.9 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 126.042 1.737 . . . . 0.0 113.887 -167.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 52.9 ttp180 -66.81 -38.0 85.64 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.545 0.738 . . . . 0.0 111.502 -179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 46.9 ttp180 -70.01 -43.71 70.8 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 125.872 1.669 . . . . 0.0 112.612 177.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 44.8 t -59.4 -39.5 83.62 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.103 1.361 . . . . 0.0 112.211 176.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -59.04 -37.84 77.93 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 113.101 0.778 . . . . 0.0 113.101 173.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 68.8 mt -64.3 -45.26 88.74 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-N 119.718 1.145 . . . . 0.0 111.256 173.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 46.2 m -63.42 -33.24 75.12 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 124.123 0.969 . . . . 0.0 112.891 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 77.1 m -79.68 -34.93 39.87 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 171.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -59.86 -33.98 72.52 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 120.045 1.293 . . . . 0.0 112.069 174.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 63.0 m -61.58 -21.64 64.49 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.199 1.4 . . . . 0.0 114.533 170.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 39.4 mt -98.05 -26.19 14.69 Favored 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.53 1.132 . . . . 0.0 112.321 173.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 110.02 14.36 13.75 Favored Glycine 0 CA--C 1.541 1.698 0 C-N-CA 125.998 1.761 . . . . 0.0 114.684 -174.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 37.1 mt -116.85 169.41 9.41 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.649 1.58 . . . . 0.0 112.589 -169.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 66.5 mt -95.96 129.38 43.24 Favored 'General case' 0 N--CA 1.466 0.362 0 C-N-CA 124.979 1.312 . . . . 0.0 110.723 173.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -92.95 133.3 11.65 Favored Glycine 0 N--CA 1.471 1.002 0 CA-C-N 118.348 0.522 . . . . 0.0 113.595 177.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -132.28 142.91 49.56 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.333 1.053 . . . . 0.0 110.778 169.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 98.7 m -77.51 109.44 11.46 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-O 121.804 0.811 . . . . 0.0 110.391 167.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 63.6 mt -128.45 123.71 60.38 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.581 0 C-N-CA 125.502 1.521 . . . . 0.0 108.193 -174.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 62.52 34.05 88.29 Favored Glycine 0 CA--C 1.539 1.544 0 O-C-N 121.754 -0.591 . . . . 0.0 114.199 -174.212 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 61.56 26.31 16.05 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.308 1.443 . . . . 0.0 113.927 -172.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.6 tp10 -138.65 147.36 42.77 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 125.194 1.398 . . . . 0.0 112.105 -177.285 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 37.7 t -74.33 122.74 23.39 Favored 'General case' 0 C--O 1.242 0.71 0 O-C-N 121.61 -0.681 . . . . 0.0 111.167 175.589 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 78.1 mttt -134.46 135.34 42.42 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 124.767 1.227 . . . . 0.0 110.254 176.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 28.9 m -93.34 143.56 26.15 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 121.678 0.751 . . . . 0.0 112.504 177.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.8 m -148.28 177.57 0.95 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 C-N-CA 126.581 1.952 . . . . 0.0 111.009 -174.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 59.4 m-85 -100.06 -14.72 18.49 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 114.797 1.406 . . . . 0.0 114.797 -177.029 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.0 m120 . . . . . 0 N--CA 1.482 1.169 0 C-N-CA 127.205 2.202 . . . . 0.0 112.408 179.441 . . . . . . . . 0 0 . 1 stop_ save_