data_2rux_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2rux _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.6 mt . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -120.52 146.14 46.59 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.892 1.277 . . . . 0.0 111.627 -174.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -132.01 141.78 49.37 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -171.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.7 t -76.58 131.77 39.11 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.627 1.571 . . . . 0.0 110.751 169.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -90.64 3.62 53.67 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.9 mm -103.91 -44.45 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.586 1.154 . . . . 0.0 111.747 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.8 p -132.19 2.94 3.96 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -171.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 68.49 7.71 6.19 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.59 150.21 47.35 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.103 -0.998 . . . . 0.0 110.844 169.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -127.37 157.88 38.76 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.217 1.007 . . . . 0.0 112.697 -173.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -143.45 160.85 39.83 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.961 1.304 . . . . 0.0 114.08 -168.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -77.54 -36.49 52.24 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.651 1.18 . . . . 0.0 113.449 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -120.74 158.9 26.51 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.917 1.287 . . . . 0.0 111.624 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -61.69 -39.47 91.56 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.286 172.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.0 tp -58.35 -50.87 72.09 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.349 1.46 . . . . 0.0 112.164 176.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -58.81 -37.28 76.04 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -75.15 -43.55 51.88 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.582 1.153 . . . . 0.0 111.405 175.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -61.78 -41.17 97.37 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.998 0.919 . . . . 0.0 112.394 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.5 ptt-85 -73.03 -23.39 60.59 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 173.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -68.7 -33.61 74.25 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.813 0.733 . . . . 0.0 111.975 169.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 74.3 mmm -59.11 -22.3 60.63 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.613 1.551 . . . . 0.0 113.364 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.2 mt -61.57 -28.57 69.43 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.478 1.111 . . . . 0.0 113.052 174.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.481 1.095 0 CA-C-N 119.023 0.829 . . . . 0.0 112.026 177.12 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -124.64 145.37 49.68 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.727 1.211 . . . . 0.0 111.337 -173.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -132.37 144.04 50.25 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -171.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.5 t -79.29 132.42 36.46 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.002 1.721 . . . . 0.0 110.953 171.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -92.55 3.6 55.2 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.7 mm -103.29 -43.17 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.64 1.176 . . . . 0.0 111.789 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.3 p -132.02 5.49 4.2 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -172.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 66.46 12.89 8.99 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 115.56 1.689 . . . . 0.0 115.56 170.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -68.41 162.73 24.78 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.607 1.163 . . . . 0.0 111.938 169.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -139.44 150.35 45.12 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.478 1.111 . . . . 0.0 113.587 -173.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -136.92 160.87 37.61 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.472 1.509 . . . . 0.0 113.505 -169.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -79.3 -38.6 34.9 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.4 1.08 . . . . 0.0 113.476 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -126.36 161.52 27.66 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.166 1.386 . . . . 0.0 111.591 177.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.83 -36.58 83.66 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.613 1.165 . . . . 0.0 111.342 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.4 tp -59.9 -48.64 80.87 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.837 1.655 . . . . 0.0 111.989 176.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.77 -36.4 82.96 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.377 1.071 . . . . 0.0 112.385 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -71.02 -43.52 67.74 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.151 0.58 . . . . 0.0 111.242 172.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.16 -44.23 97.64 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.049 0.84 . . . . 0.0 112.114 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -71.01 -23.59 62.21 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 177.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -69.18 -36.22 77.12 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 118.578 -0.725 . . . . 0.0 112.388 169.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 63.9 mmm -58.76 -22.06 57.09 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.928 1.695 . . . . 0.0 113.454 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.9 mt -59.71 -30.3 68.7 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.326 1.051 . . . . 0.0 112.731 173.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.48 1.068 0 CA-C-N 119.126 0.875 . . . . 0.0 112.493 177.421 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.3 mt . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -120.25 141.69 49.73 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.282 1.433 . . . . 0.0 111.104 -174.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -128.28 144.26 51.11 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -171.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -79.4 132.89 36.53 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.156 1.782 . . . . 0.0 110.848 170.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -92.48 2.96 56.38 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.7 mm -102.68 -44.16 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.49 1.116 . . . . 0.0 111.69 177.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -132.96 5.5 3.88 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -170.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 67.32 11.98 8.68 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 169.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -65.77 156.04 34.35 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.733 1.213 . . . . 0.0 112.049 169.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -134.73 150.23 50.56 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.305 1.042 . . . . 0.0 112.895 -175.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -139.28 159.01 43.17 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.412 1.485 . . . . 0.0 113.578 -168.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -74.76 -35.83 62.57 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.22 1.008 . . . . 0.0 113.66 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -123.17 158.99 29.55 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.0 1.32 . . . . 0.0 111.682 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.7 -39.14 90.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.654 0.782 . . . . 0.0 110.28 173.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.2 tp -58.52 -53.04 62.84 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.284 1.433 . . . . 0.0 111.931 176.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -59.06 -37.11 76.27 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.651 0.66 . . . . 0.0 112.496 -177.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -72.26 -44.97 62.03 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.001 0.92 . . . . 0.0 111.335 174.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.7 -38.97 89.82 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.892 0.877 . . . . 0.0 112.189 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -73.19 -25.05 60.62 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 172.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -69.07 -34.82 75.75 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.945 0.793 . . . . 0.0 112.206 169.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 75.0 mmm -58.35 -23.35 56.52 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.783 1.629 . . . . 0.0 113.571 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.67 -28.97 67.73 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.668 1.187 . . . . 0.0 113.159 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.482 1.129 0 CA-C-N 118.88 0.764 . . . . 0.0 112.702 -179.859 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.2 mt . . . . . 0 N--CA 1.471 0.593 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -121.75 140.57 52.16 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.818 1.247 . . . . 0.0 111.314 -173.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -129.9 145.94 51.61 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 -172.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.4 t -83.46 125.05 31.32 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.01 1.724 . . . . 0.0 109.799 169.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -84.31 -0.15 51.37 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.8 mp -103.32 -43.72 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.791 1.236 . . . . 0.0 111.497 -174.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.5 p -128.75 6.65 5.6 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 67.44 12.55 8.96 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 169.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -68.16 156.42 37.56 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.686 1.194 . . . . 0.0 112.399 169.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -136.07 150.21 49.06 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.622 1.169 . . . . 0.0 112.752 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -139.09 160.51 39.61 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.255 1.422 . . . . 0.0 113.388 -168.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -74.53 -39.11 62.55 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.388 1.075 . . . . 0.0 113.253 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -122.71 160.25 26.26 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.541 1.537 . . . . 0.0 111.66 -177.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.73 -40.55 97.56 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.326 0.651 . . . . 0.0 110.286 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.5 tp -56.41 -51.96 66.41 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.109 1.364 . . . . 0.0 111.815 175.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -62.79 -31.41 72.37 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -176.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -76.58 -43.9 36.85 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.024 0.93 . . . . 0.0 111.253 172.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -63.28 -39.47 94.68 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.848 0.859 . . . . 0.0 112.145 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.0 ptt85 -69.39 -23.51 63.74 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 173.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -76.43 -33.17 58.8 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.639 0.776 . . . . 0.0 111.729 169.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 44.8 mtp -61.57 -19.99 62.79 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 121.138 1.79 . . . . 0.0 113.373 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.8 mt -58.95 -24.54 62.64 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.017 1.327 . . . . 0.0 113.53 171.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.48 1.048 0 O-C-N 121.652 -0.655 . . . . 0.0 112.677 176.396 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -119.42 143.56 47.41 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.025 1.33 . . . . 0.0 111.552 -173.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -130.54 143.78 50.98 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -171.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.1 t -80.49 131.43 35.56 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.99 1.716 . . . . 0.0 110.475 169.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 -91.9 3.82 54.32 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 176.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.7 mm -103.65 -43.27 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.664 1.186 . . . . 0.0 111.661 178.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -133.94 5.88 3.63 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -171.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 67.79 7.66 5.88 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 170.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -62.55 153.01 33.22 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.588 1.155 . . . . 0.0 111.743 169.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -135.5 152.3 51.2 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.307 1.043 . . . . 0.0 112.633 -173.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -142.46 161.36 38.24 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.865 1.266 . . . . 0.0 113.903 -167.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -79.64 -43.64 22.43 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.764 1.225 . . . . 0.0 113.259 -175.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -110.03 160.49 16.39 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.656 1.182 . . . . 0.0 111.946 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.13 -40.04 94.6 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.367 0.667 . . . . 0.0 110.299 171.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.1 tp -57.73 -50.19 74.03 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.17 1.388 . . . . 0.0 112.012 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -57.4 -35.83 70.53 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -78.22 -43.82 27.33 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.544 1.138 . . . . 0.0 111.727 175.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -61.2 -40.0 92.3 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.023 0.929 . . . . 0.0 112.451 -177.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.1 ptt-85 -72.91 -23.7 60.74 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -69.65 -34.37 73.92 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.862 0.755 . . . . 0.0 112.08 169.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.3 mmm -59.16 -22.11 60.44 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.775 1.625 . . . . 0.0 113.395 176.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.6 mt -61.55 -25.69 67.46 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.648 1.179 . . . . 0.0 113.358 174.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.481 1.11 0 CA-C-N 118.77 0.714 . . . . 0.0 112.3 175.904 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 CA--C 1.541 0.607 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -123.96 143.94 50.1 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.247 1.419 . . . . 0.0 111.391 -174.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -134.11 147.54 50.86 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 -172.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.3 t -83.52 137.48 33.85 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.702 2.001 . . . . 0.0 110.516 170.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -95.13 1.83 54.96 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 177.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.0 mp -108.93 -44.47 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.638 1.175 . . . . 0.0 111.402 -175.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.3 p -124.39 4.74 8.38 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 67.74 4.58 3.99 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.967 1.839 . . . . 0.0 115.967 170.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -62.24 159.17 15.49 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.577 1.551 . . . . 0.0 112.458 172.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -140.97 153.14 45.46 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -168.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -143.01 158.79 43.27 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 114.789 -1.096 . . . . 0.0 113.63 -169.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -77.62 -36.81 51.34 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.417 1.087 . . . . 0.0 113.498 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -118.35 158.02 26.02 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.086 1.354 . . . . 0.0 111.624 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -63.02 -39.73 95.64 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.213 174.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.5 tp -56.54 -52.4 64.94 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.067 1.347 . . . . 0.0 111.785 174.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -62.34 -32.01 72.72 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -175.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -75.75 -44.68 40.45 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.951 0.9 . . . . 0.0 111.191 172.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -62.46 -38.52 90.13 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.691 0.797 . . . . 0.0 112.393 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.0 ptt85 -70.13 -22.09 63.03 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 172.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -78.13 -33.08 50.66 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.003 0.921 . . . . 0.0 112.107 169.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 81.8 mmm -60.25 -21.07 61.42 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.859 1.663 . . . . 0.0 113.149 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.9 mt -58.16 -29.53 65.67 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.69 1.196 . . . . 0.0 112.832 173.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.48 1.05 0 CA-C-N 118.832 0.742 . . . . 0.0 112.733 178.091 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.5 mt . . . . . 0 CA--C 1.54 0.586 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -124.1 144.99 49.55 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.126 1.37 . . . . 0.0 111.47 -174.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -135.04 148.1 49.81 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -171.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.1 t -87.24 134.35 33.55 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.39 1.876 . . . . 0.0 110.387 169.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 29.1 p80 -94.27 1.05 56.0 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 177.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.8 mp -106.15 -43.99 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.686 1.195 . . . . 0.0 111.305 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.1 p -127.41 5.34 6.28 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -177.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 66.89 11.84 8.56 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 169.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -66.75 157.28 33.2 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.844 1.258 . . . . 0.0 112.387 169.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -138.8 153.36 48.38 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.504 1.122 . . . . 0.0 113.452 -175.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -141.78 160.14 40.79 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.81 1.244 . . . . 0.0 113.352 -169.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -80.11 -34.25 38.05 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.565 1.146 . . . . 0.0 114.013 -176.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -128.43 160.19 33.05 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.884 1.274 . . . . 0.0 111.249 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -61.26 -38.43 86.67 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.3 1.04 . . . . 0.0 110.736 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.7 tp -56.76 -52.69 64.04 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.977 1.311 . . . . 0.0 111.883 176.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -62.16 -31.91 72.46 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.603 1.161 . . . . 0.0 112.697 -176.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -76.81 -44.41 32.74 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.444 0.698 . . . . 0.0 111.361 172.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -62.9 -38.53 91.32 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.604 0.761 . . . . 0.0 112.346 -177.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.4 ptt85 -70.73 -23.71 62.49 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 172.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -74.01 -32.99 63.63 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 118.71 -0.662 . . . . 0.0 112.052 169.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 89.1 mmm -59.82 -22.17 61.86 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 120.912 1.687 . . . . 0.0 113.197 176.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.9 mt -58.0 -31.94 67.44 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.677 1.191 . . . . 0.0 112.612 173.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.482 1.14 0 CA-C-N 119.15 0.887 . . . . 0.0 112.843 -179.09 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 CA--C 1.541 0.61 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -124.04 143.72 50.26 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.137 1.375 . . . . 0.0 111.428 -174.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -132.25 147.07 52.39 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.417 1.087 . . . . 0.0 113.521 -173.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -82.04 132.1 35.25 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.408 1.883 . . . . 0.0 110.839 173.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -90.77 4.21 52.27 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 176.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.0 mm -105.31 -44.93 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.682 1.193 . . . . 0.0 111.755 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -130.48 4.67 4.7 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 -172.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 67.71 5.58 4.52 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 171.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -61.5 159.85 12.17 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.38 1.472 . . . . 0.0 112.366 170.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -141.2 152.99 45.06 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -168.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -142.91 158.92 43.15 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.527 1.131 . . . . 0.0 113.841 -168.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -77.43 -36.5 53.04 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.55 1.14 . . . . 0.0 113.348 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -119.32 157.99 27.01 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.132 1.373 . . . . 0.0 111.666 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -62.68 -40.22 96.41 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.236 174.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.9 tp -56.24 -52.45 64.4 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.17 1.388 . . . . 0.0 111.778 175.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -62.05 -32.15 72.63 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -176.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -76.17 -44.08 39.74 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.11 0.964 . . . . 0.0 111.258 172.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -62.66 -39.47 94.0 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.878 0.871 . . . . 0.0 111.995 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.5 ptt85 -71.07 -21.92 62.18 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 173.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -75.84 -34.52 60.08 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.706 0.802 . . . . 0.0 112.255 170.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 72.0 mmm -59.46 -22.18 61.16 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 120.924 1.693 . . . . 0.0 113.095 176.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.2 mt -59.15 -26.56 64.87 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.978 1.311 . . . . 0.0 113.416 173.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.479 1.01 0 CA-C-N 118.887 0.767 . . . . 0.0 112.501 177.126 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.3 mt . . . . . 0 CA--C 1.54 0.561 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -122.28 147.96 45.6 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.292 1.437 . . . . 0.0 111.528 -174.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -137.26 144.43 42.71 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.696 1.199 . . . . 0.0 112.996 -169.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -89.17 120.95 31.01 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.981 1.713 . . . . 0.0 111.122 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -82.74 3.18 30.32 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 176.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.2 mm -102.48 -44.03 9.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.45 1.1 . . . . 0.0 111.769 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.2 p -134.78 6.31 3.43 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -170.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 67.52 14.61 9.64 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 169.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -70.9 156.02 40.1 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.612 1.165 . . . . 0.0 111.875 169.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -136.86 151.99 49.73 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -174.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -142.02 158.45 43.75 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.638 1.175 . . . . 0.0 113.063 -169.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -82.41 -39.67 22.32 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.567 1.147 . . . . 0.0 113.493 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -108.06 158.31 17.51 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.601 1.16 . . . . 0.0 112.005 174.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.1 -40.82 95.1 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.234 0.613 . . . . 0.0 110.162 174.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.7 tp -56.11 -50.47 70.98 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.961 1.304 . . . . 0.0 111.358 174.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -62.04 -29.81 70.54 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -78.97 -44.54 22.21 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.275 1.03 . . . . 0.0 111.558 171.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -62.43 -38.17 88.69 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.774 0.83 . . . . 0.0 112.297 -177.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.7 ptt85 -70.65 -23.37 62.51 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 172.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -75.54 -34.83 60.78 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.639 0.776 . . . . 0.0 112.096 170.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 78.8 mmm -59.2 -21.79 60.03 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 120.957 1.708 . . . . 0.0 113.286 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.9 mt -58.84 -29.35 66.85 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.674 1.189 . . . . 0.0 112.938 173.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.481 1.088 0 CA-C-N 118.808 0.731 . . . . 0.0 112.464 178.365 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 N--CA 1.47 0.561 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -126.31 149.75 48.95 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.392 1.477 . . . . 0.0 111.283 -171.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -135.21 144.2 46.8 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -172.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.84 130.26 35.01 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.077 1.751 . . . . 0.0 110.494 171.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -89.98 1.66 56.02 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 176.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.4 mm -100.74 -45.16 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.546 1.138 . . . . 0.0 111.378 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.9 p -129.55 10.24 5.62 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 -172.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 63.44 12.18 6.13 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 169.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -69.8 164.7 23.06 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.319 1.448 . . . . 0.0 111.969 169.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -140.36 155.03 46.92 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -176.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -140.38 159.85 41.29 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.216 1.406 . . . . 0.0 113.676 -169.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -73.61 -36.82 65.53 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.43 1.092 . . . . 0.0 113.497 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -124.72 159.41 30.93 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.05 1.34 . . . . 0.0 111.676 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -61.34 -38.98 88.89 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.314 173.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.89 -52.87 63.87 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.206 1.402 . . . . 0.0 112.049 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -59.23 -37.52 77.73 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.497 0.589 . . . . 0.0 112.255 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -71.68 -45.01 63.24 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.813 0.845 . . . . 0.0 111.338 174.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -61.35 -40.15 93.19 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.873 0.869 . . . . 0.0 112.35 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -73.51 -23.34 60.01 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 173.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -70.4 -32.9 70.73 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.714 0.688 . . . . 0.0 112.249 169.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.2 mmm -57.96 -24.84 59.71 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.887 1.676 . . . . 0.0 113.17 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.8 mt -60.13 -24.89 65.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.916 1.286 . . . . 0.0 113.543 175.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.481 1.081 0 O-C-N 121.544 -0.723 . . . . 0.0 112.633 176.384 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 CA--C 1.54 0.578 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -118.36 141.83 48.14 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.104 1.362 . . . . 0.0 111.223 -174.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -128.88 143.41 50.89 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -171.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -79.12 129.49 34.51 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.856 1.662 . . . . 0.0 110.469 169.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -90.21 3.53 53.22 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 175.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.9 mm -103.41 -44.7 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.737 1.215 . . . . 0.0 111.343 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -133.25 11.54 4.18 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -172.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 64.53 6.72 3.29 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 169.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -63.7 153.04 37.45 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.036 1.334 . . . . 0.0 112.023 169.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -136.02 151.36 49.8 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.258 1.023 . . . . 0.0 112.76 -173.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -140.31 160.25 40.39 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.041 1.336 . . . . 0.0 113.867 -167.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -74.23 -37.41 63.83 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.318 1.047 . . . . 0.0 113.655 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -124.12 159.65 29.53 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.242 1.417 . . . . 0.0 111.493 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -62.04 -39.87 93.8 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.29 174.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.3 tp -56.97 -52.36 65.56 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.102 1.361 . . . . 0.0 111.884 174.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -62.34 -32.08 72.81 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -175.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -75.78 -44.17 42.81 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.161 0.984 . . . . 0.0 111.292 172.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -62.64 -39.24 93.23 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.827 0.851 . . . . 0.0 112.03 -178.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.8 ptt85 -70.81 -22.88 62.3 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 173.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -74.72 -35.19 62.68 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.559 0.744 . . . . 0.0 112.09 169.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.5 mmm -58.24 -22.64 53.02 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 121.021 1.737 . . . . 0.0 113.287 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.5 mt -58.96 -26.71 64.68 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.873 1.269 . . . . 0.0 113.468 173.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.481 1.076 0 CA-C-N 118.771 0.714 . . . . 0.0 112.4 176.919 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.4 mt . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -121.81 146.43 47.08 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.039 1.336 . . . . 0.0 111.491 -174.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -131.77 144.05 50.66 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 -171.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.9 t -80.81 131.22 35.38 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.815 1.646 . . . . 0.0 110.194 169.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -91.71 4.88 51.72 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 176.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.8 mm -105.59 -43.6 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.778 1.231 . . . . 0.0 111.654 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p -133.19 6.31 3.87 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -171.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 67.59 7.95 6.0 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 116.018 1.858 . . . . 0.0 116.018 170.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -62.39 152.44 34.11 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.579 1.152 . . . . 0.0 111.856 169.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -135.95 151.2 49.69 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.328 1.051 . . . . 0.0 112.485 -173.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -138.76 162.54 34.45 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -166.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -76.12 -41.59 49.69 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.266 1.427 . . . . 0.0 112.936 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -129.3 161.74 29.54 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.076 1.351 . . . . 0.0 111.56 176.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.32 -38.03 85.38 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.667 1.187 . . . . 0.0 110.812 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.1 tp -57.54 -51.15 70.66 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.05 1.34 . . . . 0.0 111.973 176.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -63.02 -33.6 75.78 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.733 0.813 . . . . 0.0 112.204 -176.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -73.57 -44.86 56.33 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.215 1.006 . . . . 0.0 111.473 172.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -62.17 -40.33 95.67 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.683 0.793 . . . . 0.0 112.175 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -70.77 -21.66 62.48 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 173.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -74.72 -35.22 62.68 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.694 0.798 . . . . 0.0 111.842 169.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 79.3 mmm -58.54 -21.76 53.48 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 121.003 1.729 . . . . 0.0 113.369 175.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.4 mt -60.75 -23.54 65.03 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.158 1.383 . . . . 0.0 113.835 173.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.479 1.002 0 C-N-CA 123.451 0.7 . . . . 0.0 112.391 175.532 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 CA--C 1.539 0.526 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -122.99 145.8 48.18 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.132 1.373 . . . . 0.0 111.781 -173.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -133.24 145.33 50.44 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.523 1.129 . . . . 0.0 113.454 -174.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -82.52 125.87 31.62 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.751 1.62 . . . . 0.0 110.385 171.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -86.42 5.83 33.15 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.7 mm -105.3 -43.23 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.67 1.188 . . . . 0.0 111.702 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -134.49 5.91 3.49 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -171.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 68.16 10.62 7.94 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 115.996 1.85 . . . . 0.0 115.996 170.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -65.92 157.64 30.14 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.652 1.181 . . . . 0.0 111.931 169.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -138.59 152.63 48.32 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -174.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -141.78 159.67 41.75 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.759 1.224 . . . . 0.0 113.666 -168.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -77.53 -35.21 53.54 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.313 1.045 . . . . 0.0 113.773 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -129.41 160.64 32.47 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.843 1.257 . . . . 0.0 111.262 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -61.29 -38.76 87.94 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.273 1.029 . . . . 0.0 110.711 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.3 tp -56.47 -52.52 64.39 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.163 1.385 . . . . 0.0 111.855 176.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -61.97 -32.36 72.8 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.675 1.19 . . . . 0.0 112.81 -177.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -76.7 -43.54 37.2 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.852 0.861 . . . . 0.0 111.419 173.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -63.7 -40.4 96.71 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.848 0.859 . . . . 0.0 111.997 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -70.28 -24.85 63.11 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 173.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -72.9 -36.34 67.28 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.305 0.642 . . . . 0.0 111.728 169.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.1 mtp -59.79 -20.83 59.15 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 120.573 1.533 . . . . 0.0 113.564 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.7 mt -58.92 -30.21 67.66 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.701 1.2 . . . . 0.0 113.095 172.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.482 1.16 0 CA-C-N 119.156 0.889 . . . . 0.0 112.629 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.5 mt . . . . . 0 CA--C 1.543 0.679 0 N-CA-C 115.786 1.773 . . . . 0.0 115.786 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -119.73 146.14 45.91 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.869 1.268 . . . . 0.0 111.32 -171.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -135.45 148.37 49.24 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -169.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.7 t -86.3 126.82 34.59 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.53 1.532 . . . . 0.0 110.171 169.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -86.28 -1.35 57.41 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 176.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 mp -102.85 -43.54 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.766 1.227 . . . . 0.0 111.574 -174.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -125.71 6.17 7.46 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 67.07 14.08 9.69 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 169.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.4 mtt-85 -71.09 163.82 26.83 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.853 1.261 . . . . 0.0 112.105 170.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -136.98 153.18 50.75 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.692 1.197 . . . . 0.0 113.165 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -137.65 153.46 49.85 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 125.485 1.514 . . . . 0.0 112.283 -172.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -74.24 -39.33 63.13 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.697 0.799 . . . . 0.0 112.736 -176.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -124.42 160.62 27.78 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.057 1.343 . . . . 0.0 111.496 178.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -65.18 -33.34 75.78 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.607 0.763 . . . . 0.0 111.681 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.1 tp -59.23 -49.4 77.99 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.413 1.085 . . . . 0.0 111.519 174.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.38 -35.32 78.81 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.61 1.164 . . . . 0.0 112.54 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -44.39 62.63 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.585 0.754 . . . . 0.0 111.612 172.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -61.25 -44.17 97.68 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.449 0.7 . . . . 0.0 111.747 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -69.4 -23.77 63.76 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -74.08 -37.45 64.19 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.779 -0.629 . . . . 0.0 112.186 168.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.3 mtp -61.22 -20.22 62.55 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.878 1.672 . . . . 0.0 113.35 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.5 mt -57.13 -29.69 63.78 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.788 1.235 . . . . 0.0 113.036 171.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.481 1.089 0 CA-C-N 118.99 0.814 . . . . 0.0 112.718 178.936 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 CA--C 1.54 0.574 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -121.57 141.98 50.55 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.961 1.304 . . . . 0.0 111.344 -173.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -127.22 144.67 50.99 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -172.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -81.03 130.17 34.89 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.922 1.689 . . . . 0.0 110.269 169.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -92.1 5.71 49.25 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.2 mm -105.87 -43.74 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.661 1.184 . . . . 0.0 111.425 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -130.49 10.98 5.28 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 -174.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 63.64 12.96 6.96 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 169.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -70.42 162.92 27.77 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.154 1.382 . . . . 0.0 112.271 169.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -140.13 150.75 44.64 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.72 1.208 . . . . 0.0 113.439 -174.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -138.73 159.33 42.37 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.702 1.601 . . . . 0.0 113.681 -168.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -73.2 -37.96 66.27 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.168 0.987 . . . . 0.0 113.29 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -124.06 158.95 31.0 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.256 1.422 . . . . 0.0 111.688 -175.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.58 -40.13 95.89 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.12 174.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.82 -51.51 69.29 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.279 1.432 . . . . 0.0 111.852 175.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -63.98 -33.03 74.81 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -176.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -71.68 -45.14 62.81 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.023 0.529 . . . . 0.0 111.073 170.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -62.35 -40.31 95.99 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.648 0.779 . . . . 0.0 112.801 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -69.79 -23.04 63.29 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 173.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -75.0 -34.69 61.98 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.451 0.701 . . . . 0.0 112.158 169.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.9 mmm -58.81 -22.36 58.33 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 121.063 1.756 . . . . 0.0 113.131 175.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.0 mt -59.01 -27.59 65.58 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.73 1.212 . . . . 0.0 113.183 174.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.48 1.036 0 CA-C-N 118.77 0.714 . . . . 0.0 112.274 176.882 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -120.24 144.72 47.6 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.785 1.234 . . . . 0.0 111.628 -172.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -129.15 141.99 51.01 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.285 1.034 . . . . 0.0 113.31 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -83.79 120.65 26.3 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.85 1.66 . . . . 0.0 109.945 169.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -80.29 3.38 21.14 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.7 mm -99.01 -41.02 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.625 1.17 . . . . 0.0 111.755 -178.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.7 p -134.15 1.13 3.2 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.498 1.519 . . . . 0.0 114.772 -170.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 69.04 8.41 6.82 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 175.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -65.85 154.28 39.63 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.283 -0.886 . . . . 0.0 111.496 169.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -137.07 150.94 48.37 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.551 1.14 . . . . 0.0 113.139 -170.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -139.87 162.38 35.31 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.895 1.278 . . . . 0.0 114.302 -167.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -43.17 45.12 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.617 1.167 . . . . 0.0 112.726 -176.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -125.4 161.33 27.29 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.425 1.49 . . . . 0.0 111.225 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -62.22 -38.39 89.01 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.092 0.957 . . . . 0.0 110.769 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.5 tp -56.75 -50.91 70.84 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.225 1.41 . . . . 0.0 111.982 176.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -61.28 -36.75 80.93 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.695 1.198 . . . . 0.0 112.652 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -72.48 -44.29 62.49 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.62 0.768 . . . . 0.0 111.114 174.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -62.86 -41.35 99.34 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.989 0.916 . . . . 0.0 112.245 -178.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -71.28 -23.91 62.06 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 174.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -73.08 -36.19 66.78 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 118.869 -0.586 . . . . 0.0 111.733 168.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.5 mtp -59.26 -21.08 59.06 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 120.889 1.677 . . . . 0.0 113.557 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.72 -29.0 66.35 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.702 1.201 . . . . 0.0 113.17 172.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.482 1.16 0 CA-C-N 119.152 0.887 . . . . 0.0 112.654 178.026 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -120.72 143.07 48.96 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.08 1.352 . . . . 0.0 111.259 -174.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -129.94 142.68 50.61 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -171.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.7 t -77.78 132.49 38.1 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.999 1.719 . . . . 0.0 110.929 169.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -92.12 3.58 55.0 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 175.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.1 mm -103.54 -43.42 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.679 1.191 . . . . 0.0 111.717 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -134.36 5.17 3.47 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -171.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 67.73 8.62 6.52 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.983 1.846 . . . . 0.0 115.983 170.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -62.76 152.45 35.76 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.484 1.113 . . . . 0.0 111.7 169.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -135.46 150.87 49.94 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.181 0.992 . . . . 0.0 112.866 -172.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -139.68 160.14 40.56 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.056 1.342 . . . . 0.0 113.952 -167.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -76.15 -35.26 59.27 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.639 1.176 . . . . 0.0 113.783 -176.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -131.81 161.29 33.27 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.046 1.339 . . . . 0.0 111.098 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.4 -38.3 86.57 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.192 0.997 . . . . 0.0 110.883 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.8 tp -56.99 -52.67 64.34 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.111 1.364 . . . . 0.0 111.91 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -61.86 -32.28 72.62 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.634 1.174 . . . . 0.0 112.794 -177.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -76.05 -44.07 40.85 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.788 0.835 . . . . 0.0 111.493 172.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -62.62 -39.58 94.25 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.752 0.821 . . . . 0.0 111.956 -178.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.1 ptt85 -72.4 -23.8 61.15 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 172.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -70.15 -33.49 71.85 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.964 0.802 . . . . 0.0 112.243 169.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 70.1 mmm -58.91 -21.94 58.66 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 120.856 1.662 . . . . 0.0 113.321 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.8 mt -61.65 -26.34 67.95 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.915 1.286 . . . . 0.0 113.405 174.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.481 1.089 0 CA-C-N 118.856 0.753 . . . . 0.0 112.178 176.603 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 CA--C 1.54 0.576 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -121.11 151.99 39.23 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.756 1.222 . . . . 0.0 111.952 -173.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -136.94 144.95 43.68 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.135 0.974 . . . . 0.0 113.557 -174.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -82.13 127.83 33.52 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.87 1.668 . . . . 0.0 109.724 169.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -90.97 9.55 30.17 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.7 mm -108.21 -41.8 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.791 1.237 . . . . 0.0 111.409 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.5 p -133.86 12.6 4.0 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 -174.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 64.06 9.7 4.85 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 169.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -66.76 157.34 33.08 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.121 1.369 . . . . 0.0 112.417 169.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -134.52 152.16 51.6 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.721 1.208 . . . . 0.0 112.553 -176.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -140.55 159.88 41.23 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.677 1.191 . . . . 0.0 113.969 -169.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -77.46 -42.13 37.05 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.567 1.147 . . . . 0.0 113.4 -175.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -124.55 160.6 28.0 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.732 1.213 . . . . 0.0 111.931 174.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.45 -38.94 89.03 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.784 1.234 . . . . 0.0 110.594 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 tp -55.97 -50.55 70.5 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.035 1.334 . . . . 0.0 111.671 175.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -63.58 -33.57 75.89 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.061 0.846 . . . . 0.0 112.493 -175.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -74.24 -43.65 56.17 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.375 1.07 . . . . 0.0 111.525 173.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -63.49 -41.67 98.56 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.709 0.804 . . . . 0.0 112.048 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -69.39 -23.22 63.69 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 173.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -74.53 -35.92 63.16 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.646 0.778 . . . . 0.0 112.089 169.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.3 mtp -60.37 -20.3 58.95 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 120.933 1.697 . . . . 0.0 113.529 177.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.1 mt -58.81 -30.88 67.95 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.614 1.166 . . . . 0.0 112.821 171.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.482 1.149 0 CA-C-N 119.229 0.922 . . . . 0.0 112.675 179.597 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 CA--C 1.54 0.587 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -122.82 143.54 49.78 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.241 1.417 . . . . 0.0 111.415 -175.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -131.56 144.59 51.21 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.458 1.103 . . . . 0.0 113.38 -174.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.3 t -79.46 126.32 30.7 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.566 1.546 . . . . 0.0 110.505 172.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -86.11 4.27 39.01 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.8 mm -104.11 -45.56 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.575 1.15 . . . . 0.0 111.457 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 p -133.01 11.29 4.26 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 -171.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 65.27 3.47 2.27 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 169.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -60.35 154.93 19.07 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.112 1.765 . . . . 0.0 112.373 169.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -139.16 151.27 46.49 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -169.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -142.54 159.25 42.61 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.829 1.252 . . . . 0.0 113.443 -168.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -80.25 -32.6 38.29 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -178.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -126.99 158.34 37.16 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.21 1.004 . . . . 0.0 111.283 177.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.01 -38.21 85.27 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.177 0.991 . . . . 0.0 110.643 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.0 tp -56.4 -52.65 63.84 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.103 1.361 . . . . 0.0 111.889 176.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -61.59 -32.54 72.65 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.605 1.162 . . . . 0.0 112.846 -177.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -77.18 -43.2 34.66 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.88 0.872 . . . . 0.0 111.513 173.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -63.66 -40.42 96.8 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.832 0.853 . . . . 0.0 111.951 -178.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.3 ptt85 -70.57 -25.13 62.94 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 173.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -72.2 -36.34 69.17 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.333 0.653 . . . . 0.0 111.768 169.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.1 mtp -59.92 -20.84 59.67 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.225 -1.547 . . . . 0.0 113.489 177.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.4 mt -59.92 -30.79 69.28 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.598 1.159 . . . . 0.0 112.997 172.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.482 1.129 0 CA-C-N 119.089 0.858 . . . . 0.0 112.349 -179.547 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -124.14 145.07 49.53 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.841 1.256 . . . . 0.0 111.802 -174.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -132.66 145.7 51.28 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.474 1.11 . . . . 0.0 113.748 -173.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -81.22 131.35 35.29 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.377 1.871 . . . . 0.0 110.835 173.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -89.99 2.46 55.11 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 176.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.0 mm -102.69 -46.22 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.526 1.13 . . . . 0.0 111.375 177.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.6 p -130.36 9.59 5.18 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 115.691 1.738 . . . . 0.0 115.691 -172.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 64.78 4.37 2.37 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 170.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -62.19 159.74 14.25 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.723 1.609 . . . . 0.0 112.172 170.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -141.43 152.52 44.35 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -168.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -141.92 159.29 42.52 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.654 1.181 . . . . 0.0 113.986 -168.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -78.69 -34.25 46.29 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.501 1.121 . . . . 0.0 113.916 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -128.88 159.12 36.79 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.295 1.038 . . . . 0.0 111.207 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.2 -38.57 87.04 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.05 0.94 . . . . 0.0 110.679 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.3 tp -56.9 -51.0 70.82 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.335 1.454 . . . . 0.0 111.923 176.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -62.89 -35.49 80.18 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.345 1.058 . . . . 0.0 112.795 -177.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -72.77 -44.53 61.48 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.158 0.583 . . . . 0.0 111.106 172.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -61.9 -40.4 95.32 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.726 0.81 . . . . 0.0 112.409 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -72.85 -23.21 60.72 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 173.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -70.53 -35.01 72.92 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 118.683 0.674 . . . . 0.0 112.137 169.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 75.0 mmm -58.23 -23.18 54.97 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.859 1.663 . . . . 0.0 113.462 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.2 mt -60.44 -27.63 67.65 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.837 1.255 . . . . 0.0 113.236 174.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.482 1.143 0 CA-C-N 119.048 0.84 . . . . 0.0 112.676 178.097 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.515 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -138.09 155.1 49.11 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.202 1.401 . . . . 0.0 112.108 -175.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 t -148.07 153.65 39.18 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.15 1.38 . . . . 0.0 111.647 176.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.58 157.08 48.91 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.573 1.083 . . . . 0.0 114.301 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -76.16 -14.79 60.16 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.562 1.145 . . . . 0.0 113.98 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.6 p -148.68 168.21 23.46 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.53 1.932 . . . . 0.0 111.604 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.22 172.73 42.92 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.882 0.754 . . . . 0.0 114.552 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.4 mt -82.09 134.07 35.31 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.468 1.107 . . . . 0.0 109.589 173.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.6 mt -102.42 -28.01 12.47 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -168.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -120.52 146.14 46.59 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.892 1.277 . . . . 0.0 111.627 -174.128 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -132.01 141.78 49.37 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -171.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.7 t -76.58 131.77 39.11 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.627 1.571 . . . . 0.0 110.751 169.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -90.64 3.62 53.67 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.9 mm -103.91 -44.45 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.586 1.154 . . . . 0.0 111.747 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.8 p -132.19 2.94 3.96 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -171.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 68.49 7.71 6.19 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.59 150.21 47.35 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.103 -0.998 . . . . 0.0 110.844 169.488 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -127.37 157.88 38.76 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.217 1.007 . . . . 0.0 112.697 -173.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -143.45 160.85 39.83 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.961 1.304 . . . . 0.0 114.08 -168.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -77.54 -36.49 52.24 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.651 1.18 . . . . 0.0 113.449 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -120.74 158.9 26.51 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.917 1.287 . . . . 0.0 111.624 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -61.69 -39.47 91.56 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.286 172.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.0 tp -58.35 -50.87 72.09 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.349 1.46 . . . . 0.0 112.164 176.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -58.81 -37.28 76.04 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -75.15 -43.55 51.88 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.582 1.153 . . . . 0.0 111.405 175.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -61.78 -41.17 97.37 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.998 0.919 . . . . 0.0 112.394 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.5 ptt-85 -73.03 -23.39 60.59 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 173.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -68.7 -33.61 74.25 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.813 0.733 . . . . 0.0 111.975 169.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 74.3 mmm -59.11 -22.3 60.63 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.613 1.551 . . . . 0.0 113.364 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.2 mt -61.57 -28.57 69.43 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.478 1.111 . . . . 0.0 113.052 174.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m -67.34 -25.55 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.023 0.829 . . . . 0.0 112.026 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -90.92 -39.54 12.22 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.482 1.513 . . . . 0.0 111.491 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.12 -18.92 60.94 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.035 1.302 . . . . 0.0 114.634 176.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -61.51 -23.82 66.18 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.968 1.307 . . . . 0.0 113.35 171.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -84.42 59.75 5.61 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.411 1.485 . . . . 0.0 111.289 174.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.5 p-90 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 125.147 1.379 . . . . 0.0 113.358 177.624 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.531 -0.628 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m 52.45 32.86 12.01 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.842 1.657 . . . . 0.0 115.333 174.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.8 m -134.55 152.86 52.07 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.694 1.598 . . . . 0.0 112.199 -173.478 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.04 -160.92 54.12 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 124.324 0.964 . . . . 0.0 114.269 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.0 p -144.75 170.04 16.87 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.716 1.606 . . . . 0.0 112.095 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.5 p -76.15 -9.97 59.04 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.71 147.57 4.98 Favored Glycine 0 N--CA 1.469 0.89 0 C-N-CA 124.053 0.835 . . . . 0.0 114.864 170.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 98.1 mt -136.27 136.03 39.49 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.606 1.963 . . . . 0.0 108.845 171.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -131.5 -25.33 2.16 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -169.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -124.64 145.37 49.68 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.727 1.211 . . . . 0.0 111.337 -173.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -132.37 144.04 50.25 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -171.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.5 t -79.29 132.42 36.46 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.002 1.721 . . . . 0.0 110.953 171.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -92.55 3.6 55.2 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.7 mm -103.29 -43.17 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.64 1.176 . . . . 0.0 111.789 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.3 p -132.02 5.49 4.2 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -172.298 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 66.46 12.89 8.99 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 115.56 1.689 . . . . 0.0 115.56 170.528 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -68.41 162.73 24.78 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.607 1.163 . . . . 0.0 111.938 169.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -139.44 150.35 45.12 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.478 1.111 . . . . 0.0 113.587 -173.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -136.92 160.87 37.61 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.472 1.509 . . . . 0.0 113.505 -169.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -79.3 -38.6 34.9 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.4 1.08 . . . . 0.0 113.476 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -126.36 161.52 27.66 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.166 1.386 . . . . 0.0 111.591 177.423 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.83 -36.58 83.66 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.613 1.165 . . . . 0.0 111.342 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.4 tp -59.9 -48.64 80.87 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.837 1.655 . . . . 0.0 111.989 176.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.77 -36.4 82.96 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.377 1.071 . . . . 0.0 112.385 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -71.02 -43.52 67.74 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.151 0.58 . . . . 0.0 111.242 172.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.16 -44.23 97.64 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.049 0.84 . . . . 0.0 112.114 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -71.01 -23.59 62.21 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 177.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -69.18 -36.22 77.12 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 118.578 -0.725 . . . . 0.0 112.388 169.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 63.9 mmm -58.76 -22.06 57.09 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.928 1.695 . . . . 0.0 113.454 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.9 mt -59.71 -30.3 68.7 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.326 1.051 . . . . 0.0 112.731 173.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.8 m -67.23 -21.27 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.126 0.875 . . . . 0.0 112.493 177.421 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -97.23 -40.41 8.78 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.032 1.733 . . . . 0.0 112.072 175.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.14 -28.11 62.85 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.564 1.078 . . . . 0.0 115.006 -177.698 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -120.22 32.11 6.18 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.877 1.671 . . . . 0.0 112.402 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -69.75 -9.03 52.96 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 126.196 1.799 . . . . 0.0 115.605 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 12.1 m95 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 127.265 2.226 . . . . 0.0 114.13 -169.205 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 112.042 -0.423 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 m 61.45 171.04 0.11 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.541 1.936 . . . . 0.0 115.03 -176.096 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.0 p -82.54 -14.35 55.06 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.762 1.394 . . . . 0.0 114.762 -177.045 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.1 157.01 53.57 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.519 1.057 . . . . 0.0 114.101 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 t -150.11 157.85 43.55 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.133 1.373 . . . . 0.0 111.72 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -79.42 42.47 0.51 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.2 1.8 . . . . 0.0 113.658 -175.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.33 -164.89 26.15 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.379 1.466 . . . . 0.0 114.471 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.1 mt -84.42 130.86 34.73 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.281 1.032 . . . . 0.0 109.598 174.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.3 mt -128.96 -23.94 2.99 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.776 1.23 . . . . 0.0 114.303 -169.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -120.25 141.69 49.73 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.282 1.433 . . . . 0.0 111.104 -174.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -128.28 144.26 51.11 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -171.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -79.4 132.89 36.53 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.156 1.782 . . . . 0.0 110.848 170.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -92.48 2.96 56.38 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.7 mm -102.68 -44.16 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.49 1.116 . . . . 0.0 111.69 177.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -132.96 5.5 3.88 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -170.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 67.32 11.98 8.68 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 169.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -65.77 156.04 34.35 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.733 1.213 . . . . 0.0 112.049 169.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -134.73 150.23 50.56 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.305 1.042 . . . . 0.0 112.895 -175.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -139.28 159.01 43.17 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.412 1.485 . . . . 0.0 113.578 -168.559 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -74.76 -35.83 62.57 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.22 1.008 . . . . 0.0 113.66 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -123.17 158.99 29.55 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.0 1.32 . . . . 0.0 111.682 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.7 -39.14 90.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.654 0.782 . . . . 0.0 110.28 173.5 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.2 tp -58.52 -53.04 62.84 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.284 1.433 . . . . 0.0 111.931 176.401 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -59.06 -37.11 76.27 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.651 0.66 . . . . 0.0 112.496 -177.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -72.26 -44.97 62.03 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.001 0.92 . . . . 0.0 111.335 174.748 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.7 -38.97 89.82 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.892 0.877 . . . . 0.0 112.189 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -73.19 -25.05 60.62 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 172.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -69.07 -34.82 75.75 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.945 0.793 . . . . 0.0 112.206 169.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 75.0 mmm -58.35 -23.35 56.52 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.783 1.629 . . . . 0.0 113.571 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.67 -28.97 67.73 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.668 1.187 . . . . 0.0 113.159 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 m -69.21 -22.8 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 118.88 0.764 . . . . 0.0 112.702 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -89.39 -10.29 47.1 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.554 1.542 . . . . 0.0 113.458 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.9 -118.26 7.43 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.383 0.992 . . . . 0.0 112.871 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.3 t70 63.05 -27.13 0.07 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 128.469 2.708 . . . . 0.0 116.644 -177.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -72.49 -15.43 61.79 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.809 1.644 . . . . 0.0 114.538 174.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 51.7 m95 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 125.702 1.601 . . . . 0.0 113.374 -171.877 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m -65.66 -15.57 62.9 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 115.096 1.517 . . . . 0.0 115.096 -172.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -75.25 -8.43 56.61 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.127 1.371 . . . . 0.0 114.49 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.7 159.12 49.0 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.413 1.006 . . . . 0.0 114.392 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -142.86 162.24 35.97 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.467 1.507 . . . . 0.0 112.754 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -152.3 179.95 8.08 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.466 1.506 . . . . 0.0 111.953 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.12 -10.02 72.06 Favored Glycine 0 N--CA 1.474 1.209 0 C-N-CA 125.892 1.711 . . . . 0.0 115.867 175.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.1 mt -120.45 124.09 44.59 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.119 1.368 . . . . 0.0 109.014 174.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.2 mt -121.84 -24.97 5.11 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -168.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -121.75 140.57 52.16 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.818 1.247 . . . . 0.0 111.314 -173.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -129.9 145.94 51.61 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 -172.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.4 t -83.46 125.05 31.32 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.01 1.724 . . . . 0.0 109.799 169.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -84.31 -0.15 51.37 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.8 mp -103.32 -43.72 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.791 1.236 . . . . 0.0 111.497 -174.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.5 p -128.75 6.65 5.6 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 67.44 12.55 8.96 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 169.172 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -68.16 156.42 37.56 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.686 1.194 . . . . 0.0 112.399 169.517 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -136.07 150.21 49.06 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.622 1.169 . . . . 0.0 112.752 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -139.09 160.51 39.61 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.255 1.422 . . . . 0.0 113.388 -168.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -74.53 -39.11 62.55 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.388 1.075 . . . . 0.0 113.253 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -122.71 160.25 26.26 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.541 1.537 . . . . 0.0 111.66 -177.161 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.73 -40.55 97.56 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.326 0.651 . . . . 0.0 110.286 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.5 tp -56.41 -51.96 66.41 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.109 1.364 . . . . 0.0 111.815 175.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -62.79 -31.41 72.37 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -176.138 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -76.58 -43.9 36.85 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.024 0.93 . . . . 0.0 111.253 172.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -63.28 -39.47 94.68 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.848 0.859 . . . . 0.0 112.145 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.0 ptt85 -69.39 -23.51 63.74 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 173.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -76.43 -33.17 58.8 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.639 0.776 . . . . 0.0 111.729 169.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 44.8 mtp -61.57 -19.99 62.79 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 121.138 1.79 . . . . 0.0 113.373 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.8 mt -58.95 -24.54 62.64 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.017 1.327 . . . . 0.0 113.53 171.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m -74.53 -20.4 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 O-C-N 121.652 -0.655 . . . . 0.0 112.677 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -102.95 -48.49 4.05 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.866 1.666 . . . . 0.0 112.886 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.16 121.25 6.11 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.762 1.172 . . . . 0.0 112.844 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -83.89 -35.91 23.76 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.585 1.154 . . . . 0.0 113.5 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -143.09 13.48 1.84 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.676 1.99 . . . . 0.0 113.646 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 64.9 m95 . . . . . 0 C--O 1.253 1.284 0 C-N-CA 126.274 1.83 . . . . 0.0 112.687 -171.195 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.462 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -79.33 -10.94 59.92 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -174.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -148.17 169.28 20.38 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.801 1.64 . . . . 0.0 111.578 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.89 164.94 34.47 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 125.253 1.406 . . . . 0.0 113.404 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -74.73 -14.67 60.75 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.096 1.517 . . . . 0.0 115.096 -170.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 m -143.92 146.25 32.84 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.662 1.585 . . . . 0.0 112.1 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.41 142.54 30.39 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 123.753 0.692 . . . . 0.0 111.646 169.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.8 mt -111.59 134.14 53.36 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.576 1.15 . . . . 0.0 109.849 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.7 mt -119.41 -25.07 6.15 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -168.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -119.42 143.56 47.41 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.025 1.33 . . . . 0.0 111.552 -173.162 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -130.54 143.78 50.98 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -171.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.1 t -80.49 131.43 35.56 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.99 1.716 . . . . 0.0 110.475 169.694 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 -91.9 3.82 54.32 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 176.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.7 mm -103.65 -43.27 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.664 1.186 . . . . 0.0 111.661 178.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -133.94 5.88 3.63 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -171.456 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 67.79 7.66 5.88 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 170.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -62.55 153.01 33.22 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.588 1.155 . . . . 0.0 111.743 169.464 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -135.5 152.3 51.2 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.307 1.043 . . . . 0.0 112.633 -173.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -142.46 161.36 38.24 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.865 1.266 . . . . 0.0 113.903 -167.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -79.64 -43.64 22.43 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.764 1.225 . . . . 0.0 113.259 -175.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -110.03 160.49 16.39 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.656 1.182 . . . . 0.0 111.946 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.13 -40.04 94.6 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.367 0.667 . . . . 0.0 110.299 171.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.1 tp -57.73 -50.19 74.03 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.17 1.388 . . . . 0.0 112.012 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -57.4 -35.83 70.53 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -78.22 -43.82 27.33 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.544 1.138 . . . . 0.0 111.727 175.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -61.2 -40.0 92.3 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.023 0.929 . . . . 0.0 112.451 -177.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.1 ptt-85 -72.91 -23.7 60.74 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -69.65 -34.37 73.92 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.862 0.755 . . . . 0.0 112.08 169.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.3 mmm -59.16 -22.11 60.44 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.775 1.625 . . . . 0.0 113.395 176.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.6 mt -61.55 -25.69 67.46 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.648 1.179 . . . . 0.0 113.358 174.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m -70.59 -24.37 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-N 118.77 0.714 . . . . 0.0 112.3 175.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -93.74 -33.39 13.63 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.724 1.61 . . . . 0.0 112.409 176.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.72 -168.86 54.82 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.081 1.324 . . . . 0.0 114.455 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -133.03 -98.54 0.28 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.261 1.424 . . . . 0.0 110.204 -178.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt 55.09 25.07 6.67 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 126.784 2.033 . . . . 0.0 114.911 172.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.1 m95 . . . . . 0 C--O 1.253 1.283 0 C-N-CA 125.674 1.589 . . . . 0.0 113.302 -178.534 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 112.053 -0.419 . . . . 0.0 112.053 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t -72.35 148.43 45.33 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.923 0.889 . . . . 0.0 112.607 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 p -83.58 -11.03 57.86 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.142 1.377 . . . . 0.0 113.644 171.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.65 143.04 36.17 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.464 1.031 . . . . 0.0 113.598 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 m -76.75 151.3 36.07 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.624 1.17 . . . . 0.0 113.044 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -144.5 152.25 40.31 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.626 1.57 . . . . 0.0 111.16 172.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.14 -48.48 1.75 Allowed Glycine 0 N--CA 1.477 1.393 0 C-N-CA 125.144 1.354 . . . . 0.0 114.194 -174.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.3 mt -86.88 127.44 35.04 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 125.979 1.711 . . . . 0.0 109.389 174.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.9 mt -125.31 -23.25 4.18 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.496 1.118 . . . . 0.0 113.929 -171.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -123.96 143.94 50.1 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.247 1.419 . . . . 0.0 111.391 -174.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -134.11 147.54 50.86 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 -172.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.3 t -83.52 137.48 33.85 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.702 2.001 . . . . 0.0 110.516 170.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -95.13 1.83 54.96 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 177.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.0 mp -108.93 -44.47 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.638 1.175 . . . . 0.0 111.402 -175.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.3 p -124.39 4.74 8.38 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 67.74 4.58 3.99 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.967 1.839 . . . . 0.0 115.967 170.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -62.24 159.17 15.49 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.577 1.551 . . . . 0.0 112.458 172.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -140.97 153.14 45.46 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -168.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -143.01 158.79 43.27 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 114.789 -1.096 . . . . 0.0 113.63 -169.03 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -77.62 -36.81 51.34 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.417 1.087 . . . . 0.0 113.498 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -118.35 158.02 26.02 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.086 1.354 . . . . 0.0 111.624 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -63.02 -39.73 95.64 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.213 174.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.5 tp -56.54 -52.4 64.94 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.067 1.347 . . . . 0.0 111.785 174.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -62.34 -32.01 72.72 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -175.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -75.75 -44.68 40.45 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.951 0.9 . . . . 0.0 111.191 172.144 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -62.46 -38.52 90.13 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.691 0.797 . . . . 0.0 112.393 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.0 ptt85 -70.13 -22.09 63.03 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 172.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -78.13 -33.08 50.66 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.003 0.921 . . . . 0.0 112.107 169.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 81.8 mmm -60.25 -21.07 61.42 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.859 1.663 . . . . 0.0 113.149 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.9 mt -58.16 -29.53 65.67 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.69 1.196 . . . . 0.0 112.832 173.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.6 m -71.5 -20.95 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-N 118.832 0.742 . . . . 0.0 112.733 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -101.36 -3.12 29.36 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.673 1.989 . . . . 0.0 113.46 177.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.6 125.62 17.28 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.401 1.001 . . . . 0.0 114.045 -173.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -143.35 121.99 12.55 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.296 1.838 . . . . 0.0 109.071 169.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -70.25 -30.14 67.12 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.693 1.197 . . . . 0.0 113.864 -174.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 . . . . . 0 C--O 1.254 1.296 0 C-N-CA 126.874 2.07 . . . . 0.0 112.841 -178.021 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 111.652 -0.579 . . . . 0.0 111.652 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.5 p -84.9 -19.09 32.82 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -177.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 m 55.04 25.59 7.16 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.667 1.587 . . . . 0.0 114.33 -169.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.63 158.88 49.04 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 124.622 1.106 . . . . 0.0 113.882 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m 55.04 28.82 11.34 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.546 1.538 . . . . 0.0 114.889 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 t -89.39 144.26 26.2 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.77 1.228 . . . . 0.0 111.627 176.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.38 -65.9 1.99 Allowed Glycine 0 CA--C 1.53 0.998 0 C-N-CA 125.355 1.455 . . . . 0.0 113.83 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.4 mt -86.09 126.56 34.28 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.861 1.264 . . . . 0.0 109.991 178.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.5 mt -127.45 -23.63 3.46 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -171.176 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -124.1 144.99 49.55 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.126 1.37 . . . . 0.0 111.47 -174.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -135.04 148.1 49.81 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -171.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.1 t -87.24 134.35 33.55 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.39 1.876 . . . . 0.0 110.387 169.682 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 29.1 p80 -94.27 1.05 56.0 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 177.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.8 mp -106.15 -43.99 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.686 1.195 . . . . 0.0 111.305 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.1 p -127.41 5.34 6.28 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -177.115 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 66.89 11.84 8.56 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 169.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -66.75 157.28 33.2 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.844 1.258 . . . . 0.0 112.387 169.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -138.8 153.36 48.38 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.504 1.122 . . . . 0.0 113.452 -175.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -141.78 160.14 40.79 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.81 1.244 . . . . 0.0 113.352 -169.522 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -80.11 -34.25 38.05 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.565 1.146 . . . . 0.0 114.013 -176.205 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -128.43 160.19 33.05 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.884 1.274 . . . . 0.0 111.249 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -61.26 -38.43 86.67 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.3 1.04 . . . . 0.0 110.736 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.7 tp -56.76 -52.69 64.04 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.977 1.311 . . . . 0.0 111.883 176.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -62.16 -31.91 72.46 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.603 1.161 . . . . 0.0 112.697 -176.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -76.81 -44.41 32.74 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.444 0.698 . . . . 0.0 111.361 172.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -62.9 -38.53 91.32 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.604 0.761 . . . . 0.0 112.346 -177.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.4 ptt85 -70.73 -23.71 62.49 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 172.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -74.01 -32.99 63.63 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 118.71 -0.662 . . . . 0.0 112.052 169.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 89.1 mmm -59.82 -22.17 61.86 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 120.912 1.687 . . . . 0.0 113.197 176.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.9 mt -58.0 -31.94 67.44 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.677 1.191 . . . . 0.0 112.612 173.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m -68.08 -21.73 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 119.15 0.887 . . . . 0.0 112.843 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -91.63 -4.58 55.08 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.999 1.719 . . . . 0.0 113.269 176.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.02 144.43 41.42 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.46 1.029 . . . . 0.0 113.258 174.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -103.25 -7.06 21.46 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.931 1.292 . . . . 0.0 113.82 -176.046 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -75.37 -18.91 59.84 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.314 1.446 . . . . 0.0 114.005 -174.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 41.4 m95 . . . . . 0 C--O 1.252 1.19 0 C-N-CA 125.386 1.474 . . . . 0.0 114.005 -172.488 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.555 0 N-CA-C 111.853 -0.499 . . . . 0.0 111.853 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 p 58.12 -178.03 0.07 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 127.017 2.127 . . . . 0.0 114.959 -173.654 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.7 t -145.97 145.1 30.52 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.987 1.315 . . . . 0.0 111.846 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.08 -15.5 62.98 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.185 0.898 . . . . 0.0 114.137 172.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 m -85.06 3.35 39.15 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.212 1.405 . . . . 0.0 113.898 175.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.6 t -63.41 148.87 47.33 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.6 1.16 . . . . 0.0 113.359 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.07 -7.91 77.55 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.093 1.33 . . . . 0.0 114.944 172.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.1 mt -95.83 127.04 41.52 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.874 1.27 . . . . 0.0 110.473 -172.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.1 mt -120.11 -24.04 6.13 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.663 1.185 . . . . 0.0 113.975 -170.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -124.04 143.72 50.26 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.137 1.375 . . . . 0.0 111.428 -174.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -132.25 147.07 52.39 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.417 1.087 . . . . 0.0 113.521 -173.327 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -82.04 132.1 35.25 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.408 1.883 . . . . 0.0 110.839 173.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -90.77 4.21 52.27 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 176.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.0 mm -105.31 -44.93 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.682 1.193 . . . . 0.0 111.755 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -130.48 4.67 4.7 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 -172.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 67.71 5.58 4.52 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 171.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -61.5 159.85 12.17 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.38 1.472 . . . . 0.0 112.366 170.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -141.2 152.99 45.06 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -168.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -142.91 158.92 43.15 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.527 1.131 . . . . 0.0 113.841 -168.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -77.43 -36.5 53.04 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.55 1.14 . . . . 0.0 113.348 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -119.32 157.99 27.01 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.132 1.373 . . . . 0.0 111.666 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -62.68 -40.22 96.41 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.236 174.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.9 tp -56.24 -52.45 64.4 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.17 1.388 . . . . 0.0 111.778 175.111 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -62.05 -32.15 72.63 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -176.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -76.17 -44.08 39.74 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.11 0.964 . . . . 0.0 111.258 172.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -62.66 -39.47 94.0 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.878 0.871 . . . . 0.0 111.995 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.5 ptt85 -71.07 -21.92 62.18 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 173.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -75.84 -34.52 60.08 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.706 0.802 . . . . 0.0 112.255 170.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 72.0 mmm -59.46 -22.18 61.16 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 120.924 1.693 . . . . 0.0 113.095 176.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.2 mt -59.15 -26.56 64.87 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.978 1.311 . . . . 0.0 113.416 173.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 m -72.42 -22.95 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-N 118.887 0.767 . . . . 0.0 112.501 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 60.1 m-70 -98.18 -28.56 13.66 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.694 1.597 . . . . 0.0 113.371 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.28 145.98 50.0 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.598 1.095 . . . . 0.0 114.656 -173.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -92.34 2.62 56.53 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.077 1.351 . . . . 0.0 113.918 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -76.94 -5.74 49.76 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -171.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 97.9 m95 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 125.42 1.488 . . . . 0.0 113.151 178.373 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 111.878 -0.489 . . . . 0.0 111.878 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 p -150.22 176.98 10.36 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.398 1.479 . . . . 0.0 112.045 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -61.85 -12.15 16.18 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.704 1.202 . . . . 0.0 114.124 173.089 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.84 3.68 34.45 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 125.486 1.517 . . . . 0.0 115.003 172.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -59.89 -22.37 62.29 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.136 1.374 . . . . 0.0 113.818 174.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.4 p -140.91 148.44 40.44 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.304 1.842 . . . . 0.0 110.76 169.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.46 171.15 54.89 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 115.883 1.113 . . . . 0.0 115.883 -170.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.8 mt -87.99 140.86 29.07 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.53 1.132 . . . . 0.0 109.566 169.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.3 mt -122.89 -23.73 4.96 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.9 1.28 . . . . 0.0 114.061 -170.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -122.28 147.96 45.6 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.292 1.437 . . . . 0.0 111.528 -174.037 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -137.26 144.43 42.71 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.696 1.199 . . . . 0.0 112.996 -169.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -89.17 120.95 31.01 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.981 1.713 . . . . 0.0 111.122 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -82.74 3.18 30.32 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 176.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.2 mm -102.48 -44.03 9.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.45 1.1 . . . . 0.0 111.769 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.2 p -134.78 6.31 3.43 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -170.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 67.52 14.61 9.64 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 169.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -70.9 156.02 40.1 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.612 1.165 . . . . 0.0 111.875 169.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -136.86 151.99 49.73 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -174.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -142.02 158.45 43.75 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.638 1.175 . . . . 0.0 113.063 -169.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -82.41 -39.67 22.32 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.567 1.147 . . . . 0.0 113.493 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -108.06 158.31 17.51 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.601 1.16 . . . . 0.0 112.005 174.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.1 -40.82 95.1 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.234 0.613 . . . . 0.0 110.162 174.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.7 tp -56.11 -50.47 70.98 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.961 1.304 . . . . 0.0 111.358 174.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -62.04 -29.81 70.54 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -78.97 -44.54 22.21 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.275 1.03 . . . . 0.0 111.558 171.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -62.43 -38.17 88.69 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.774 0.83 . . . . 0.0 112.297 -177.47 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.7 ptt85 -70.65 -23.37 62.51 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 172.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -75.54 -34.83 60.78 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.639 0.776 . . . . 0.0 112.096 170.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 78.8 mmm -59.2 -21.79 60.03 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 120.957 1.708 . . . . 0.0 113.286 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.9 mt -58.84 -29.35 66.85 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.674 1.189 . . . . 0.0 112.938 173.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m -70.51 -23.14 24.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 CA-C-N 118.808 0.731 . . . . 0.0 112.464 178.365 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -94.85 -40.49 9.7 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.503 1.521 . . . . 0.0 111.941 176.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.53 -95.66 0.68 Allowed Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.76 1.648 . . . . 0.0 113.382 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -85.91 44.87 1.16 Allowed 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -169.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -1.96 49.81 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.631 1.572 . . . . 0.0 114.972 173.485 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 . . . . . 0 C--O 1.253 1.247 0 C-N-CA 126.186 1.795 . . . . 0.0 113.621 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.506 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 m -66.86 155.87 37.21 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.675 1.19 . . . . 0.0 113.246 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 t -141.94 148.88 39.38 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.058 1.343 . . . . 0.0 111.758 177.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.23 159.3 8.81 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.224 1.392 . . . . 0.0 113.855 -172.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 m -141.03 129.42 22.43 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.569 1.148 . . . . 0.0 112.015 -176.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 m -71.93 -16.88 62.11 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.523 1.129 . . . . 0.0 113.742 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.55 -6.34 62.18 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.137 1.351 . . . . 0.0 115.214 174.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.3 mt -111.81 119.39 38.42 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.217 1.407 . . . . 0.0 109.62 -177.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mp -101.2 -19.4 15.73 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.032 1.333 . . . . 0.0 113.872 -169.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -126.31 149.75 48.95 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.392 1.477 . . . . 0.0 111.283 -171.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -135.21 144.2 46.8 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -172.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.84 130.26 35.01 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.077 1.751 . . . . 0.0 110.494 171.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -89.98 1.66 56.02 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 176.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.4 mm -100.74 -45.16 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.546 1.138 . . . . 0.0 111.378 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.9 p -129.55 10.24 5.62 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 -172.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 63.44 12.18 6.13 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 169.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -69.8 164.7 23.06 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.319 1.448 . . . . 0.0 111.969 169.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -140.36 155.03 46.92 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -176.5 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -140.38 159.85 41.29 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.216 1.406 . . . . 0.0 113.676 -169.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -73.61 -36.82 65.53 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.43 1.092 . . . . 0.0 113.497 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -124.72 159.41 30.93 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.05 1.34 . . . . 0.0 111.676 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -61.34 -38.98 88.89 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.314 173.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.89 -52.87 63.87 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.206 1.402 . . . . 0.0 112.049 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -59.23 -37.52 77.73 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.497 0.589 . . . . 0.0 112.255 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -71.68 -45.01 63.24 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.813 0.845 . . . . 0.0 111.338 174.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -61.35 -40.15 93.19 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.873 0.869 . . . . 0.0 112.35 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -73.51 -23.34 60.01 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 173.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -70.4 -32.9 70.73 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.714 0.688 . . . . 0.0 112.249 169.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.2 mmm -57.96 -24.84 59.71 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.887 1.676 . . . . 0.0 113.17 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.8 mt -60.13 -24.89 65.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.916 1.286 . . . . 0.0 113.543 175.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 m -71.5 -22.67 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 O-C-N 121.544 -0.723 . . . . 0.0 112.633 176.384 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -92.86 -18.04 23.32 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.581 1.552 . . . . 0.0 113.626 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.75 171.77 35.64 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.192 0.901 . . . . 0.0 114.279 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -111.3 7.4 21.04 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.56 1.544 . . . . 0.0 113.176 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -82.44 -5.93 58.98 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.671 1.588 . . . . 0.0 114.572 -172.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 61.7 m95 . . . . . 0 C--O 1.254 1.293 0 C-N-CA 126.123 1.769 . . . . 0.0 113.687 -175.092 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.58 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 p -82.56 -16.89 46.89 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -150.34 163.6 37.93 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.496 1.518 . . . . 0.0 111.826 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.28 -9.99 30.88 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.636 1.589 . . . . 0.0 115.958 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.5 p -69.09 -13.73 62.6 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.281 1.433 . . . . 0.0 114.545 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 p -79.57 -27.48 41.17 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.902 1.281 . . . . 0.0 112.984 169.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.51 -42.51 3.91 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 125.27 1.415 . . . . 0.0 113.781 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.3 mt -96.97 122.62 40.16 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.993 1.317 . . . . 0.0 110.21 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.6 mt -124.37 -24.71 4.22 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.988 1.315 . . . . 0.0 114.467 -168.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -118.36 141.83 48.14 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.104 1.362 . . . . 0.0 111.223 -174.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -128.88 143.41 50.89 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -171.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -79.12 129.49 34.51 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.856 1.662 . . . . 0.0 110.469 169.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -90.21 3.53 53.22 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 175.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.9 mm -103.41 -44.7 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.737 1.215 . . . . 0.0 111.343 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -133.25 11.54 4.18 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -172.004 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 64.53 6.72 3.29 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 169.379 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -63.7 153.04 37.45 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.036 1.334 . . . . 0.0 112.023 169.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -136.02 151.36 49.8 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.258 1.023 . . . . 0.0 112.76 -173.122 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -140.31 160.25 40.39 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.041 1.336 . . . . 0.0 113.867 -167.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -74.23 -37.41 63.83 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.318 1.047 . . . . 0.0 113.655 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -124.12 159.65 29.53 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.242 1.417 . . . . 0.0 111.493 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -62.04 -39.87 93.8 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.29 174.372 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.3 tp -56.97 -52.36 65.56 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.102 1.361 . . . . 0.0 111.884 174.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -62.34 -32.08 72.81 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -175.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -75.78 -44.17 42.81 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.161 0.984 . . . . 0.0 111.292 172.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -62.64 -39.24 93.23 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.827 0.851 . . . . 0.0 112.03 -178.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.8 ptt85 -70.81 -22.88 62.3 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 173.229 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -74.72 -35.19 62.68 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.559 0.744 . . . . 0.0 112.09 169.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.5 mmm -58.24 -22.64 53.02 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 121.021 1.737 . . . . 0.0 113.287 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.5 mt -58.96 -26.71 64.68 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.873 1.269 . . . . 0.0 113.468 173.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 m -71.31 -23.77 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 118.771 0.714 . . . . 0.0 112.4 176.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -95.51 -34.98 11.85 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.706 1.602 . . . . 0.0 112.331 176.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.2 -174.7 52.54 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.624 1.583 . . . . 0.0 115.406 174.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -119.83 28.3 8.2 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.329 1.852 . . . . 0.0 111.987 -177.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -72.19 -18.43 61.86 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 126.448 1.899 . . . . 0.0 115.013 -174.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.233 0 C-N-CA 128.103 2.561 . . . . 0.0 112.799 -178.427 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.0 p -62.28 -16.15 52.03 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.707 1.203 . . . . 0.0 114.059 175.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 p -60.28 -26.25 66.35 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.865 2.066 . . . . 0.0 114.116 169.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.01 5.34 58.1 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.917 1.246 . . . . 0.0 115.142 -174.574 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 t -155.74 150.32 26.07 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.121 1.369 . . . . 0.0 112.109 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.5 m -76.62 -13.67 60.04 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.524 1.129 . . . . 0.0 113.298 170.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.94 -175.91 40.98 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.655 1.121 . . . . 0.0 114.289 -175.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.0 mt -111.52 133.52 53.74 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.084 1.354 . . . . 0.0 109.913 173.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.4 mt -129.74 -25.18 2.62 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.21 1.404 . . . . 0.0 114.448 -169.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -121.81 146.43 47.08 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.039 1.336 . . . . 0.0 111.491 -174.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -131.77 144.05 50.66 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 -171.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.9 t -80.81 131.22 35.38 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.815 1.646 . . . . 0.0 110.194 169.439 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -91.71 4.88 51.72 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 176.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.8 mm -105.59 -43.6 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.778 1.231 . . . . 0.0 111.654 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p -133.19 6.31 3.87 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -171.558 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 67.59 7.95 6.0 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 116.018 1.858 . . . . 0.0 116.018 170.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -62.39 152.44 34.11 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.579 1.152 . . . . 0.0 111.856 169.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -135.95 151.2 49.69 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.328 1.051 . . . . 0.0 112.485 -173.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -138.76 162.54 34.45 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -166.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -76.12 -41.59 49.69 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.266 1.427 . . . . 0.0 112.936 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -129.3 161.74 29.54 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.076 1.351 . . . . 0.0 111.56 176.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.32 -38.03 85.38 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.667 1.187 . . . . 0.0 110.812 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.1 tp -57.54 -51.15 70.66 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.05 1.34 . . . . 0.0 111.973 176.061 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -63.02 -33.6 75.78 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.733 0.813 . . . . 0.0 112.204 -176.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -73.57 -44.86 56.33 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.215 1.006 . . . . 0.0 111.473 172.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -62.17 -40.33 95.67 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.683 0.793 . . . . 0.0 112.175 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -70.77 -21.66 62.48 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 173.216 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -74.72 -35.22 62.68 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.694 0.798 . . . . 0.0 111.842 169.493 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 79.3 mmm -58.54 -21.76 53.48 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 121.003 1.729 . . . . 0.0 113.369 175.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.4 mt -60.75 -23.54 65.03 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.158 1.383 . . . . 0.0 113.835 173.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 m -73.92 -21.69 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 123.451 0.7 . . . . 0.0 112.391 175.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -97.76 -50.17 4.55 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.859 1.664 . . . . 0.0 111.627 177.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 43.46 -121.55 3.42 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 126.558 2.028 . . . . 0.0 113.528 174.176 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -132.67 32.44 3.86 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.558 1.543 . . . . 0.0 110.087 167.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -109.18 26.0 11.14 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 128.155 2.582 . . . . 0.0 113.913 -168.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 11.5 m95 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 128.428 2.691 . . . . 0.0 114.35 -175.527 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.486 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.6 p -68.37 -42.67 78.8 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 117.745 0.772 . . . . 0.0 110.998 169.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 m 54.39 22.2 3.66 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 127.565 2.346 . . . . 0.0 116.759 168.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.39 -164.83 40.74 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.815 1.197 . . . . 0.0 114.861 177.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 m 52.8 33.17 13.61 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.796 1.638 . . . . 0.0 115.058 177.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 t -146.95 -66.71 0.27 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.702 1.201 . . . . 0.0 112.477 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.08 -0.3 79.75 Favored Glycine 0 CA--C 1.532 1.108 0 N-CA-C 115.277 0.871 . . . . 0.0 115.277 -172.272 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.5 mt -107.74 126.23 52.36 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.409 1.104 . . . . 0.0 110.771 -173.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.8 mt -105.95 -23.72 12.6 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.215 1.406 . . . . 0.0 114.018 -172.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -122.99 145.8 48.18 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.132 1.373 . . . . 0.0 111.781 -173.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -133.24 145.33 50.44 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.523 1.129 . . . . 0.0 113.454 -174.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -82.52 125.87 31.62 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.751 1.62 . . . . 0.0 110.385 171.374 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -86.42 5.83 33.15 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.7 mm -105.3 -43.23 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.67 1.188 . . . . 0.0 111.702 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -134.49 5.91 3.49 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -171.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 68.16 10.62 7.94 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 115.996 1.85 . . . . 0.0 115.996 170.041 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -65.92 157.64 30.14 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.652 1.181 . . . . 0.0 111.931 169.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -138.59 152.63 48.32 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -174.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -141.78 159.67 41.75 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.759 1.224 . . . . 0.0 113.666 -168.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -77.53 -35.21 53.54 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.313 1.045 . . . . 0.0 113.773 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -129.41 160.64 32.47 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.843 1.257 . . . . 0.0 111.262 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -61.29 -38.76 87.94 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.273 1.029 . . . . 0.0 110.711 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.3 tp -56.47 -52.52 64.39 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.163 1.385 . . . . 0.0 111.855 176.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -61.97 -32.36 72.8 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.675 1.19 . . . . 0.0 112.81 -177.069 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -76.7 -43.54 37.2 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.852 0.861 . . . . 0.0 111.419 173.072 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -63.7 -40.4 96.71 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.848 0.859 . . . . 0.0 111.997 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -70.28 -24.85 63.11 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 173.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -72.9 -36.34 67.28 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.305 0.642 . . . . 0.0 111.728 169.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.1 mtp -59.79 -20.83 59.15 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 120.573 1.533 . . . . 0.0 113.564 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.7 mt -58.92 -30.21 67.66 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.701 1.2 . . . . 0.0 113.095 172.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 m -68.26 -22.45 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 CA-C-N 119.156 0.889 . . . . 0.0 112.629 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -91.16 -3.5 56.98 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.922 1.689 . . . . 0.0 113.378 176.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.94 28.41 0.52 Allowed Glycine 0 CA--C 1.539 1.579 0 C-N-CA 126.636 2.065 . . . . 0.0 115.976 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -79.34 37.21 0.32 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 127.024 2.129 . . . . 0.0 113.228 -176.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -83.32 -15.27 50.74 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.38 1.872 . . . . 0.0 113.99 -173.514 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 63.4 p-90 . . . . . 0 C--O 1.255 1.355 0 C-N-CA 126.765 2.026 . . . . 0.0 113.753 -176.926 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.524 0 N-CA-C 112.131 -0.388 . . . . 0.0 112.131 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p -147.11 171.29 15.55 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.422 1.489 . . . . 0.0 112.253 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 p -73.14 -16.39 61.45 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 177.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.43 -165.0 47.55 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.936 1.255 . . . . 0.0 115.037 177.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -151.52 166.36 31.38 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.817 1.647 . . . . 0.0 111.07 176.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 t -68.41 133.21 48.33 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.742 0.817 . . . . 0.0 112.352 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.57 1.16 88.35 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.603 1.097 . . . . 0.0 114.434 170.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.2 mt -129.21 117.41 20.7 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.142 1.777 . . . . 0.0 108.357 -177.699 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.5 mt -81.74 -25.08 35.69 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.786 1.773 . . . . 0.0 115.786 -168.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -119.73 146.14 45.91 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.869 1.268 . . . . 0.0 111.32 -171.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -135.45 148.37 49.24 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -169.66 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.7 t -86.3 126.82 34.59 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.53 1.532 . . . . 0.0 110.171 169.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -86.28 -1.35 57.41 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 176.105 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 mp -102.85 -43.54 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.766 1.227 . . . . 0.0 111.574 -174.617 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -125.71 6.17 7.46 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 67.07 14.08 9.69 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 169.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.4 mtt-85 -71.09 163.82 26.83 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.853 1.261 . . . . 0.0 112.105 170.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -136.98 153.18 50.75 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.692 1.197 . . . . 0.0 113.165 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -137.65 153.46 49.85 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 125.485 1.514 . . . . 0.0 112.283 -172.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -74.24 -39.33 63.13 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.697 0.799 . . . . 0.0 112.736 -176.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -124.42 160.62 27.78 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.057 1.343 . . . . 0.0 111.496 178.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -65.18 -33.34 75.78 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.607 0.763 . . . . 0.0 111.681 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.1 tp -59.23 -49.4 77.99 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.413 1.085 . . . . 0.0 111.519 174.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.38 -35.32 78.81 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.61 1.164 . . . . 0.0 112.54 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -44.39 62.63 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.585 0.754 . . . . 0.0 111.612 172.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -61.25 -44.17 97.68 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.449 0.7 . . . . 0.0 111.747 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -69.4 -23.77 63.76 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -74.08 -37.45 64.19 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.779 -0.629 . . . . 0.0 112.186 168.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.3 mtp -61.22 -20.22 62.55 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.878 1.672 . . . . 0.0 113.35 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.5 mt -57.13 -29.69 63.78 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.788 1.235 . . . . 0.0 113.036 171.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 m -70.46 -20.43 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 118.99 0.814 . . . . 0.0 112.718 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -101.88 -5.94 24.14 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.44 1.896 . . . . 0.0 113.747 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.16 107.94 2.33 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 124.438 1.018 . . . . 0.0 113.246 -175.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -86.95 -33.39 19.68 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.3 1.04 . . . . 0.0 113.295 -178.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -129.47 -5.83 4.74 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.761 1.624 . . . . 0.0 114.398 -174.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.5 m95 . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.395 1.878 . . . . 0.0 112.262 -169.997 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 111.935 -0.466 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -68.9 153.86 43.05 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.614 1.166 . . . . 0.0 113.199 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 m -66.58 152.48 45.2 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.629 1.172 . . . . 0.0 112.813 176.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.34 -145.93 43.34 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 123.972 0.796 . . . . 0.0 113.206 -177.509 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.4 m -131.91 142.93 49.8 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.109 1.364 . . . . 0.0 111.881 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.3 m -73.3 153.22 40.65 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.473 1.109 . . . . 0.0 112.551 177.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.86 96.29 0.85 Allowed Glycine 0 N--CA 1.468 0.778 0 C-N-CA 123.943 0.782 . . . . 0.0 112.056 174.557 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.0 mt -127.65 130.1 48.35 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.692 1.597 . . . . 0.0 109.237 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.2 mt -116.77 -24.89 7.51 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -168.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -121.57 141.98 50.55 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.961 1.304 . . . . 0.0 111.344 -173.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -127.22 144.67 50.99 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -172.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -81.03 130.17 34.89 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.922 1.689 . . . . 0.0 110.269 169.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -92.1 5.71 49.25 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.2 mm -105.87 -43.74 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.661 1.184 . . . . 0.0 111.425 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -130.49 10.98 5.28 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 -174.752 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 63.64 12.96 6.96 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 169.327 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -70.42 162.92 27.77 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.154 1.382 . . . . 0.0 112.271 169.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -140.13 150.75 44.64 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.72 1.208 . . . . 0.0 113.439 -174.329 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -138.73 159.33 42.37 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.702 1.601 . . . . 0.0 113.681 -168.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -73.2 -37.96 66.27 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.168 0.987 . . . . 0.0 113.29 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -124.06 158.95 31.0 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.256 1.422 . . . . 0.0 111.688 -175.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.58 -40.13 95.89 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.12 174.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.82 -51.51 69.29 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.279 1.432 . . . . 0.0 111.852 175.456 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -63.98 -33.03 74.81 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -176.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -71.68 -45.14 62.81 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.023 0.529 . . . . 0.0 111.073 170.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -62.35 -40.31 95.99 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.648 0.779 . . . . 0.0 112.801 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -69.79 -23.04 63.29 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 173.168 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -75.0 -34.69 61.98 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.451 0.701 . . . . 0.0 112.158 169.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.9 mmm -58.81 -22.36 58.33 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 121.063 1.756 . . . . 0.0 113.131 175.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.0 mt -59.01 -27.59 65.58 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.73 1.212 . . . . 0.0 113.183 174.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.02 -24.39 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 118.77 0.714 . . . . 0.0 112.274 176.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -95.46 -26.52 15.81 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.979 1.712 . . . . 0.0 112.81 176.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.15 -13.46 35.23 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.552 1.549 . . . . 0.0 116.383 -172.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.56 -26.25 63.46 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 118.547 1.173 . . . . 0.0 112.915 170.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -117.11 -26.99 6.63 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.742 1.617 . . . . 0.0 114.181 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 91.1 m95 . . . . . 0 C--O 1.252 1.205 0 C-N-CA 125.776 1.631 . . . . 0.0 112.658 -173.988 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 111.931 -0.467 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 t -72.66 145.63 47.11 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.014 0.926 . . . . 0.0 112.652 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.9 p -73.83 -14.73 61.14 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.632 1.173 . . . . 0.0 113.33 170.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.02 3.2 58.27 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.302 1.43 . . . . 0.0 115.248 177.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p -68.7 -30.23 68.84 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.935 1.367 . . . . 0.0 114.236 -176.741 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.1 p -115.57 -18.82 10.82 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.433 1.493 . . . . 0.0 114.413 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.73 176.86 54.09 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.733 1.159 . . . . 0.0 114.559 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.5 mt -119.26 132.51 55.92 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.555 1.542 . . . . 0.0 109.148 169.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -110.46 -28.88 8.33 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.686 1.194 . . . . 0.0 113.645 -168.237 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -120.24 144.72 47.6 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.785 1.234 . . . . 0.0 111.628 -172.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -129.15 141.99 51.01 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.285 1.034 . . . . 0.0 113.31 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -83.79 120.65 26.3 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.85 1.66 . . . . 0.0 109.945 169.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -80.29 3.38 21.14 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.7 mm -99.01 -41.02 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.625 1.17 . . . . 0.0 111.755 -178.679 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.7 p -134.15 1.13 3.2 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.498 1.519 . . . . 0.0 114.772 -170.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 69.04 8.41 6.82 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 175.266 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -65.85 154.28 39.63 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.283 -0.886 . . . . 0.0 111.496 169.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -137.07 150.94 48.37 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.551 1.14 . . . . 0.0 113.139 -170.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -139.87 162.38 35.31 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.895 1.278 . . . . 0.0 114.302 -167.47 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -43.17 45.12 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.617 1.167 . . . . 0.0 112.726 -176.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -125.4 161.33 27.29 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.425 1.49 . . . . 0.0 111.225 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -62.22 -38.39 89.01 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.092 0.957 . . . . 0.0 110.769 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.5 tp -56.75 -50.91 70.84 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.225 1.41 . . . . 0.0 111.982 176.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -61.28 -36.75 80.93 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.695 1.198 . . . . 0.0 112.652 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -72.48 -44.29 62.49 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.62 0.768 . . . . 0.0 111.114 174.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -62.86 -41.35 99.34 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.989 0.916 . . . . 0.0 112.245 -178.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -71.28 -23.91 62.06 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 174.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -73.08 -36.19 66.78 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 118.869 -0.586 . . . . 0.0 111.733 168.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.5 mtp -59.26 -21.08 59.06 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 120.889 1.677 . . . . 0.0 113.557 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.72 -29.0 66.35 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.702 1.201 . . . . 0.0 113.17 172.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 m -68.68 -21.21 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 CA-C-N 119.152 0.887 . . . . 0.0 112.654 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -101.5 6.59 42.39 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.64 1.976 . . . . 0.0 112.994 174.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.49 -172.67 7.43 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.884 1.707 . . . . 0.0 116.17 -172.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -77.42 40.53 0.29 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.92 2.088 . . . . 0.0 114.651 -169.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -65.01 -30.52 71.52 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.334 1.853 . . . . 0.0 113.417 -179.295 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.6 m95 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 125.936 1.695 . . . . 0.0 112.612 -172.224 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.536 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -82.27 -9.73 59.38 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 -174.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 m -65.32 144.26 57.23 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.852 1.261 . . . . 0.0 113.281 -176.478 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.62 177.91 44.11 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.849 1.214 . . . . 0.0 113.258 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.4 m -79.57 -15.28 57.95 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -83.65 161.01 21.23 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.659 1.583 . . . . 0.0 113.38 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.33 173.71 46.46 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.526 1.06 . . . . 0.0 113.576 178.497 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 78.4 mt -91.1 133.36 35.4 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.326 1.05 . . . . 0.0 110.028 174.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.1 mt -129.42 -24.61 2.77 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.961 1.304 . . . . 0.0 114.421 -169.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -120.72 143.07 48.96 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.08 1.352 . . . . 0.0 111.259 -174.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -129.94 142.68 50.61 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -171.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.7 t -77.78 132.49 38.1 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.999 1.719 . . . . 0.0 110.929 169.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -92.12 3.58 55.0 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 175.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.1 mm -103.54 -43.42 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.679 1.191 . . . . 0.0 111.717 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -134.36 5.17 3.47 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -171.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 67.73 8.62 6.52 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.983 1.846 . . . . 0.0 115.983 170.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -62.76 152.45 35.76 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.484 1.113 . . . . 0.0 111.7 169.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -135.46 150.87 49.94 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.181 0.992 . . . . 0.0 112.866 -172.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -139.68 160.14 40.56 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.056 1.342 . . . . 0.0 113.952 -167.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -76.15 -35.26 59.27 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.639 1.176 . . . . 0.0 113.783 -176.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -131.81 161.29 33.27 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.046 1.339 . . . . 0.0 111.098 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.4 -38.3 86.57 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.192 0.997 . . . . 0.0 110.883 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.8 tp -56.99 -52.67 64.34 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.111 1.364 . . . . 0.0 111.91 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -61.86 -32.28 72.62 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.634 1.174 . . . . 0.0 112.794 -177.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -76.05 -44.07 40.85 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.788 0.835 . . . . 0.0 111.493 172.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -62.62 -39.58 94.25 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.752 0.821 . . . . 0.0 111.956 -178.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.1 ptt85 -72.4 -23.8 61.15 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 172.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -70.15 -33.49 71.85 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.964 0.802 . . . . 0.0 112.243 169.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 70.1 mmm -58.91 -21.94 58.66 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 120.856 1.662 . . . . 0.0 113.321 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.8 mt -61.65 -26.34 67.95 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.915 1.286 . . . . 0.0 113.405 174.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m -70.5 -25.07 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 118.856 0.753 . . . . 0.0 112.178 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -89.51 -43.04 11.1 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.333 1.453 . . . . 0.0 111.39 175.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.36 -129.11 36.32 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.997 1.284 . . . . 0.0 114.124 169.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -92.71 20.12 6.78 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.45 1.5 . . . . 0.0 113.241 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.6 tptt 67.24 -29.95 0.15 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 130.598 3.559 . . . . 0.0 117.527 177.245 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 61.7 p-90 . . . . . 0 C--O 1.253 1.278 0 CA-C-N 119.898 1.226 . . . . 0.0 113.26 171.816 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -65.72 -23.36 66.74 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.848 0.859 . . . . 0.0 112.844 172.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.1 p -134.98 167.39 21.02 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 127.108 2.163 . . . . 0.0 111.033 169.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.72 156.51 13.96 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.927 1.251 . . . . 0.0 114.542 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.4 p -102.42 -5.57 23.95 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.643 1.577 . . . . 0.0 114.712 -175.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -147.24 169.59 19.06 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.647 1.579 . . . . 0.0 111.809 -177.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.07 -177.15 42.12 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 124.841 1.21 . . . . 0.0 114.2 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.2 mt -78.37 129.74 35.33 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.408 1.083 . . . . 0.0 109.659 176.375 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.1 mt -94.72 -27.42 15.84 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 -168.388 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -121.11 151.99 39.23 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.756 1.222 . . . . 0.0 111.952 -173.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -136.94 144.95 43.68 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.135 0.974 . . . . 0.0 113.557 -174.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -82.13 127.83 33.52 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.87 1.668 . . . . 0.0 109.724 169.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -90.97 9.55 30.17 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.7 mm -108.21 -41.8 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.791 1.237 . . . . 0.0 111.409 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.5 p -133.86 12.6 4.0 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 -174.448 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 64.06 9.7 4.85 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 169.453 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -66.76 157.34 33.08 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.121 1.369 . . . . 0.0 112.417 169.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -134.52 152.16 51.6 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.721 1.208 . . . . 0.0 112.553 -176.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -140.55 159.88 41.23 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.677 1.191 . . . . 0.0 113.969 -169.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -77.46 -42.13 37.05 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.567 1.147 . . . . 0.0 113.4 -175.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -124.55 160.6 28.0 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.732 1.213 . . . . 0.0 111.931 174.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.45 -38.94 89.03 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.784 1.234 . . . . 0.0 110.594 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 tp -55.97 -50.55 70.5 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.035 1.334 . . . . 0.0 111.671 175.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -63.58 -33.57 75.89 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.061 0.846 . . . . 0.0 112.493 -175.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -74.24 -43.65 56.17 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.375 1.07 . . . . 0.0 111.525 173.089 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -63.49 -41.67 98.56 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.709 0.804 . . . . 0.0 112.048 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -69.39 -23.22 63.69 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 173.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -74.53 -35.92 63.16 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.646 0.778 . . . . 0.0 112.089 169.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.3 mtp -60.37 -20.3 58.95 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 120.933 1.697 . . . . 0.0 113.529 177.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.1 mt -58.81 -30.88 67.95 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.614 1.166 . . . . 0.0 112.821 171.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 m -68.91 -23.31 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 119.229 0.922 . . . . 0.0 112.675 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -90.98 -4.08 56.75 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.674 1.589 . . . . 0.0 113.056 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.27 6.75 59.84 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.263 1.411 . . . . 0.0 115.142 177.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -79.91 43.44 0.6 Allowed 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.244 1.522 . . . . 0.0 112.855 178.508 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -93.55 -4.28 51.25 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.834 2.054 . . . . 0.0 115.084 -174.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 33.1 p-90 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 126.797 2.039 . . . . 0.0 112.966 -173.592 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.686 -0.566 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t 63.1 153.8 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.969 2.107 . . . . 0.0 115.398 -172.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.6 m -82.69 -10.97 58.68 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.982 1.313 . . . . 0.0 112.932 170.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.3 -15.51 1.13 Allowed Glycine 0 CA--C 1.536 1.388 0 C-N-CA 124.859 1.218 . . . . 0.0 115.45 175.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -76.81 145.03 38.72 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.793 1.296 . . . . 0.0 112.109 177.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 p -77.41 138.7 39.44 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.585 1.154 . . . . 0.0 112.896 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.64 173.2 50.98 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.665 1.126 . . . . 0.0 114.59 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.8 mt -82.83 137.0 34.46 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.272 1.029 . . . . 0.0 109.544 169.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.7 mt -126.32 -23.88 3.76 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -170.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -122.82 143.54 49.78 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.241 1.417 . . . . 0.0 111.415 -175.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -131.56 144.59 51.21 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.458 1.103 . . . . 0.0 113.38 -174.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.3 t -79.46 126.32 30.7 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.566 1.546 . . . . 0.0 110.505 172.195 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -86.11 4.27 39.01 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.8 mm -104.11 -45.56 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.575 1.15 . . . . 0.0 111.457 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 p -133.01 11.29 4.26 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 -171.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 65.27 3.47 2.27 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 169.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -60.35 154.93 19.07 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.112 1.765 . . . . 0.0 112.373 169.639 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -139.16 151.27 46.49 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -169.36 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -142.54 159.25 42.61 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.829 1.252 . . . . 0.0 113.443 -168.281 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -80.25 -32.6 38.29 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -178.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -126.99 158.34 37.16 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.21 1.004 . . . . 0.0 111.283 177.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.01 -38.21 85.27 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.177 0.991 . . . . 0.0 110.643 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.0 tp -56.4 -52.65 63.84 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.103 1.361 . . . . 0.0 111.889 176.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -61.59 -32.54 72.65 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.605 1.162 . . . . 0.0 112.846 -177.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -77.18 -43.2 34.66 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.88 0.872 . . . . 0.0 111.513 173.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -63.66 -40.42 96.8 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.832 0.853 . . . . 0.0 111.951 -178.313 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.3 ptt85 -70.57 -25.13 62.94 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 173.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -72.2 -36.34 69.17 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.333 0.653 . . . . 0.0 111.768 169.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.1 mtp -59.92 -20.84 59.67 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.225 -1.547 . . . . 0.0 113.489 177.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.4 mt -59.92 -30.79 69.28 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.598 1.159 . . . . 0.0 112.997 172.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 m -66.3 -25.19 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 119.089 0.858 . . . . 0.0 112.349 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -84.31 -10.34 57.7 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.07 1.348 . . . . 0.0 113.136 178.312 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.75 -9.47 82.88 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.767 1.175 . . . . 0.0 114.266 170.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -81.41 33.97 0.37 Allowed 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.126 1.77 . . . . 0.0 113.937 -172.747 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -79.31 -17.88 53.72 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.576 1.551 . . . . 0.0 114.149 -175.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 62.8 p-90 . . . . . 0 C--O 1.253 1.285 0 C-N-CA 126.454 1.902 . . . . 0.0 113.759 -177.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.537 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -82.25 -8.73 59.65 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -176.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -66.21 -26.53 67.43 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -174.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.25 172.85 25.91 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 124.66 1.124 . . . . 0.0 114.093 177.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 m -90.06 8.0 34.85 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.36 1.464 . . . . 0.0 114.027 -178.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.3 m -67.42 160.81 26.66 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.914 1.686 . . . . 0.0 113.925 -175.633 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.59 173.4 44.38 Favored Glycine 0 N--CA 1.47 0.941 0 C-N-CA 124.925 1.25 . . . . 0.0 114.89 178.425 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.8 mt -119.74 137.56 53.86 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.851 1.66 . . . . 0.0 109.495 174.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.2 mt -112.7 -25.14 9.24 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -169.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -124.14 145.07 49.53 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.841 1.256 . . . . 0.0 111.802 -174.298 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -132.66 145.7 51.28 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.474 1.11 . . . . 0.0 113.748 -173.314 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -81.22 131.35 35.29 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.377 1.871 . . . . 0.0 110.835 173.081 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -89.99 2.46 55.11 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 176.33 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.0 mm -102.69 -46.22 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.526 1.13 . . . . 0.0 111.375 177.145 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.6 p -130.36 9.59 5.18 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 115.691 1.738 . . . . 0.0 115.691 -172.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 64.78 4.37 2.37 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 170.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -62.19 159.74 14.25 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.723 1.609 . . . . 0.0 112.172 170.389 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -141.43 152.52 44.35 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -168.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -141.92 159.29 42.52 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.654 1.181 . . . . 0.0 113.986 -168.364 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -78.69 -34.25 46.29 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.501 1.121 . . . . 0.0 113.916 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -128.88 159.12 36.79 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.295 1.038 . . . . 0.0 111.207 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.2 -38.57 87.04 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.05 0.94 . . . . 0.0 110.679 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.3 tp -56.9 -51.0 70.82 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.335 1.454 . . . . 0.0 111.923 176.497 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -62.89 -35.49 80.18 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.345 1.058 . . . . 0.0 112.795 -177.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -72.77 -44.53 61.48 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.158 0.583 . . . . 0.0 111.106 172.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -61.9 -40.4 95.32 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.726 0.81 . . . . 0.0 112.409 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -72.85 -23.21 60.72 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 173.352 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -70.53 -35.01 72.92 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 118.683 0.674 . . . . 0.0 112.137 169.379 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 75.0 mmm -58.23 -23.18 54.97 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.859 1.663 . . . . 0.0 113.462 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.2 mt -60.44 -27.63 67.65 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.837 1.255 . . . . 0.0 113.236 174.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m -69.09 -22.25 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 119.048 0.84 . . . . 0.0 112.676 178.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -92.58 -13.0 30.3 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.702 1.601 . . . . 0.0 113.371 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.18 153.09 44.52 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 124.542 1.068 . . . . 0.0 113.297 174.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -94.76 -49.1 5.76 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.616 1.166 . . . . 0.0 113.275 -178.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -113.42 -24.68 9.17 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.603 1.961 . . . . 0.0 113.712 -177.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 55.4 m95 . . . . . 0 C--O 1.251 1.151 0 C-N-CA 125.746 1.618 . . . . 0.0 112.77 -169.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.6 mt . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -120.52 146.14 46.59 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.892 1.277 . . . . 0.0 111.627 -174.128 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -132.01 141.78 49.37 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -171.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.7 t -76.58 131.77 39.11 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.627 1.571 . . . . 0.0 110.751 169.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -90.64 3.62 53.67 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.9 mm -103.91 -44.45 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.586 1.154 . . . . 0.0 111.747 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.8 p -132.19 2.94 3.96 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -171.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 68.49 7.71 6.19 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.59 150.21 47.35 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.103 -0.998 . . . . 0.0 110.844 169.488 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -127.37 157.88 38.76 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.217 1.007 . . . . 0.0 112.697 -173.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -143.45 160.85 39.83 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.961 1.304 . . . . 0.0 114.08 -168.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -77.54 -36.49 52.24 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.651 1.18 . . . . 0.0 113.449 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -120.74 158.9 26.51 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.917 1.287 . . . . 0.0 111.624 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -61.69 -39.47 91.56 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.286 172.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.0 tp -58.35 -50.87 72.09 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.349 1.46 . . . . 0.0 112.164 176.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -58.81 -37.28 76.04 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -75.15 -43.55 51.88 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.582 1.153 . . . . 0.0 111.405 175.713 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -61.78 -41.17 97.37 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.998 0.919 . . . . 0.0 112.394 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.5 ptt-85 -73.03 -23.39 60.59 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 173.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -68.7 -33.61 74.25 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.813 0.733 . . . . 0.0 111.975 169.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 74.3 mmm -59.11 -22.3 60.63 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.613 1.551 . . . . 0.0 113.364 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.2 mt -61.57 -28.57 69.43 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.478 1.111 . . . . 0.0 113.052 174.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.481 1.095 0 CA-C-N 119.023 0.829 . . . . 0.0 112.026 177.12 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -124.64 145.37 49.68 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.727 1.211 . . . . 0.0 111.337 -173.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -132.37 144.04 50.25 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -171.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.5 t -79.29 132.42 36.46 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.002 1.721 . . . . 0.0 110.953 171.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -92.55 3.6 55.2 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.7 mm -103.29 -43.17 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.64 1.176 . . . . 0.0 111.789 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.3 p -132.02 5.49 4.2 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -172.298 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 66.46 12.89 8.99 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 115.56 1.689 . . . . 0.0 115.56 170.528 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -68.41 162.73 24.78 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.607 1.163 . . . . 0.0 111.938 169.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -139.44 150.35 45.12 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.478 1.111 . . . . 0.0 113.587 -173.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -136.92 160.87 37.61 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.472 1.509 . . . . 0.0 113.505 -169.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -79.3 -38.6 34.9 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.4 1.08 . . . . 0.0 113.476 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -126.36 161.52 27.66 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.166 1.386 . . . . 0.0 111.591 177.423 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.83 -36.58 83.66 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.613 1.165 . . . . 0.0 111.342 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.4 tp -59.9 -48.64 80.87 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.837 1.655 . . . . 0.0 111.989 176.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.77 -36.4 82.96 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.377 1.071 . . . . 0.0 112.385 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -71.02 -43.52 67.74 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.151 0.58 . . . . 0.0 111.242 172.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.16 -44.23 97.64 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.049 0.84 . . . . 0.0 112.114 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -71.01 -23.59 62.21 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 177.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -69.18 -36.22 77.12 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 118.578 -0.725 . . . . 0.0 112.388 169.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 63.9 mmm -58.76 -22.06 57.09 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.928 1.695 . . . . 0.0 113.454 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.9 mt -59.71 -30.3 68.7 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.326 1.051 . . . . 0.0 112.731 173.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.48 1.068 0 CA-C-N 119.126 0.875 . . . . 0.0 112.493 177.421 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.3 mt . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -120.25 141.69 49.73 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.282 1.433 . . . . 0.0 111.104 -174.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -128.28 144.26 51.11 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -171.31 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -79.4 132.89 36.53 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.156 1.782 . . . . 0.0 110.848 170.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -92.48 2.96 56.38 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.7 mm -102.68 -44.16 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.49 1.116 . . . . 0.0 111.69 177.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -132.96 5.5 3.88 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -170.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 67.32 11.98 8.68 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 169.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -65.77 156.04 34.35 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.733 1.213 . . . . 0.0 112.049 169.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -134.73 150.23 50.56 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.305 1.042 . . . . 0.0 112.895 -175.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -139.28 159.01 43.17 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.412 1.485 . . . . 0.0 113.578 -168.559 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -74.76 -35.83 62.57 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.22 1.008 . . . . 0.0 113.66 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -123.17 158.99 29.55 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.0 1.32 . . . . 0.0 111.682 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.7 -39.14 90.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.654 0.782 . . . . 0.0 110.28 173.5 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.2 tp -58.52 -53.04 62.84 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.284 1.433 . . . . 0.0 111.931 176.401 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -59.06 -37.11 76.27 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.651 0.66 . . . . 0.0 112.496 -177.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -72.26 -44.97 62.03 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.001 0.92 . . . . 0.0 111.335 174.748 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.7 -38.97 89.82 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.892 0.877 . . . . 0.0 112.189 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -73.19 -25.05 60.62 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 172.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -69.07 -34.82 75.75 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.945 0.793 . . . . 0.0 112.206 169.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 75.0 mmm -58.35 -23.35 56.52 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.783 1.629 . . . . 0.0 113.571 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.67 -28.97 67.73 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.668 1.187 . . . . 0.0 113.159 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.482 1.129 0 CA-C-N 118.88 0.764 . . . . 0.0 112.702 -179.859 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.2 mt . . . . . 0 N--CA 1.471 0.593 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -121.75 140.57 52.16 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.818 1.247 . . . . 0.0 111.314 -173.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -129.9 145.94 51.61 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 -172.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.4 t -83.46 125.05 31.32 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.01 1.724 . . . . 0.0 109.799 169.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -84.31 -0.15 51.37 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.8 mp -103.32 -43.72 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.791 1.236 . . . . 0.0 111.497 -174.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.5 p -128.75 6.65 5.6 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 67.44 12.55 8.96 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 169.172 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -68.16 156.42 37.56 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.686 1.194 . . . . 0.0 112.399 169.517 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -136.07 150.21 49.06 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.622 1.169 . . . . 0.0 112.752 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -139.09 160.51 39.61 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.255 1.422 . . . . 0.0 113.388 -168.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -74.53 -39.11 62.55 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.388 1.075 . . . . 0.0 113.253 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -122.71 160.25 26.26 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.541 1.537 . . . . 0.0 111.66 -177.161 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.73 -40.55 97.56 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.326 0.651 . . . . 0.0 110.286 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.5 tp -56.41 -51.96 66.41 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.109 1.364 . . . . 0.0 111.815 175.493 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -62.79 -31.41 72.37 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -176.138 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -76.58 -43.9 36.85 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.024 0.93 . . . . 0.0 111.253 172.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -63.28 -39.47 94.68 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.848 0.859 . . . . 0.0 112.145 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.0 ptt85 -69.39 -23.51 63.74 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 173.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -76.43 -33.17 58.8 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.639 0.776 . . . . 0.0 111.729 169.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 44.8 mtp -61.57 -19.99 62.79 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 121.138 1.79 . . . . 0.0 113.373 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.8 mt -58.95 -24.54 62.64 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.017 1.327 . . . . 0.0 113.53 171.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.48 1.048 0 O-C-N 121.652 -0.655 . . . . 0.0 112.677 176.396 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -119.42 143.56 47.41 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.025 1.33 . . . . 0.0 111.552 -173.162 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -130.54 143.78 50.98 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -171.629 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.1 t -80.49 131.43 35.56 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.99 1.716 . . . . 0.0 110.475 169.694 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 -91.9 3.82 54.32 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 176.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.7 mm -103.65 -43.27 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.664 1.186 . . . . 0.0 111.661 178.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -133.94 5.88 3.63 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -171.456 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 67.79 7.66 5.88 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 170.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -62.55 153.01 33.22 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.588 1.155 . . . . 0.0 111.743 169.464 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -135.5 152.3 51.2 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.307 1.043 . . . . 0.0 112.633 -173.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -142.46 161.36 38.24 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.865 1.266 . . . . 0.0 113.903 -167.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -79.64 -43.64 22.43 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.764 1.225 . . . . 0.0 113.259 -175.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -110.03 160.49 16.39 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.656 1.182 . . . . 0.0 111.946 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.13 -40.04 94.6 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.367 0.667 . . . . 0.0 110.299 171.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.1 tp -57.73 -50.19 74.03 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.17 1.388 . . . . 0.0 112.012 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -57.4 -35.83 70.53 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -78.22 -43.82 27.33 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.544 1.138 . . . . 0.0 111.727 175.446 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -61.2 -40.0 92.3 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.023 0.929 . . . . 0.0 112.451 -177.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.1 ptt-85 -72.91 -23.7 60.74 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -69.65 -34.37 73.92 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.862 0.755 . . . . 0.0 112.08 169.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.3 mmm -59.16 -22.11 60.44 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.775 1.625 . . . . 0.0 113.395 176.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.6 mt -61.55 -25.69 67.46 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.648 1.179 . . . . 0.0 113.358 174.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.481 1.11 0 CA-C-N 118.77 0.714 . . . . 0.0 112.3 175.904 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 CA--C 1.541 0.607 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -123.96 143.94 50.1 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.247 1.419 . . . . 0.0 111.391 -174.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -134.11 147.54 50.86 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 -172.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.3 t -83.52 137.48 33.85 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.702 2.001 . . . . 0.0 110.516 170.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -95.13 1.83 54.96 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 177.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.0 mp -108.93 -44.47 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.638 1.175 . . . . 0.0 111.402 -175.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.3 p -124.39 4.74 8.38 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 67.74 4.58 3.99 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.967 1.839 . . . . 0.0 115.967 170.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -62.24 159.17 15.49 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.577 1.551 . . . . 0.0 112.458 172.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -140.97 153.14 45.46 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -168.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -143.01 158.79 43.27 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 114.789 -1.096 . . . . 0.0 113.63 -169.03 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -77.62 -36.81 51.34 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.417 1.087 . . . . 0.0 113.498 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -118.35 158.02 26.02 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.086 1.354 . . . . 0.0 111.624 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -63.02 -39.73 95.64 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.213 174.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.5 tp -56.54 -52.4 64.94 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.067 1.347 . . . . 0.0 111.785 174.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -62.34 -32.01 72.72 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -175.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -75.75 -44.68 40.45 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.951 0.9 . . . . 0.0 111.191 172.144 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -62.46 -38.52 90.13 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.691 0.797 . . . . 0.0 112.393 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.0 ptt85 -70.13 -22.09 63.03 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 172.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -78.13 -33.08 50.66 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.003 0.921 . . . . 0.0 112.107 169.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 81.8 mmm -60.25 -21.07 61.42 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.859 1.663 . . . . 0.0 113.149 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.9 mt -58.16 -29.53 65.67 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.69 1.196 . . . . 0.0 112.832 173.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.48 1.05 0 CA-C-N 118.832 0.742 . . . . 0.0 112.733 178.091 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.5 mt . . . . . 0 CA--C 1.54 0.586 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -124.1 144.99 49.55 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.126 1.37 . . . . 0.0 111.47 -174.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -135.04 148.1 49.81 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -171.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.1 t -87.24 134.35 33.55 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.39 1.876 . . . . 0.0 110.387 169.682 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.3 p-80 -94.27 1.05 56.0 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 177.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.8 mp -106.15 -43.99 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.686 1.195 . . . . 0.0 111.305 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.1 p -127.41 5.34 6.28 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -177.115 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 66.89 11.84 8.56 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 169.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -66.75 157.28 33.2 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.844 1.258 . . . . 0.0 112.387 169.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -138.8 153.36 48.38 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.504 1.122 . . . . 0.0 113.452 -175.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -141.78 160.14 40.79 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.81 1.244 . . . . 0.0 113.352 -169.522 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -80.11 -34.25 38.05 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.565 1.146 . . . . 0.0 114.013 -176.205 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -128.43 160.19 33.05 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.884 1.274 . . . . 0.0 111.249 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -61.26 -38.43 86.67 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.3 1.04 . . . . 0.0 110.736 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.7 tp -56.76 -52.69 64.04 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.977 1.311 . . . . 0.0 111.883 176.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -62.16 -31.91 72.46 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.603 1.161 . . . . 0.0 112.697 -176.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -76.81 -44.41 32.74 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.444 0.698 . . . . 0.0 111.361 172.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -62.9 -38.53 91.32 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.604 0.761 . . . . 0.0 112.346 -177.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.4 ptt85 -70.73 -23.71 62.49 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 172.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -74.01 -32.99 63.63 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 118.71 -0.662 . . . . 0.0 112.052 169.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 89.1 mmm -59.82 -22.17 61.86 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 120.912 1.687 . . . . 0.0 113.197 176.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.9 mt -58.0 -31.94 67.44 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.677 1.191 . . . . 0.0 112.612 173.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.482 1.14 0 CA-C-N 119.15 0.887 . . . . 0.0 112.843 -179.09 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 CA--C 1.541 0.61 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -124.04 143.72 50.26 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.137 1.375 . . . . 0.0 111.428 -174.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -132.25 147.07 52.39 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.417 1.087 . . . . 0.0 113.521 -173.327 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -82.04 132.1 35.25 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.408 1.883 . . . . 0.0 110.839 173.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -90.77 4.21 52.27 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 176.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.0 mm -105.31 -44.93 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.682 1.193 . . . . 0.0 111.755 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -130.48 4.67 4.7 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 -172.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 67.71 5.58 4.52 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 171.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -61.5 159.85 12.17 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.38 1.472 . . . . 0.0 112.366 170.421 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -141.2 152.99 45.06 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -168.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -142.91 158.92 43.15 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.527 1.131 . . . . 0.0 113.841 -168.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -77.43 -36.5 53.04 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.55 1.14 . . . . 0.0 113.348 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -119.32 157.99 27.01 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.132 1.373 . . . . 0.0 111.666 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -62.68 -40.22 96.41 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.236 174.404 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.9 tp -56.24 -52.45 64.4 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.17 1.388 . . . . 0.0 111.778 175.111 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -62.05 -32.15 72.63 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -176.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -76.17 -44.08 39.74 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.11 0.964 . . . . 0.0 111.258 172.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -62.66 -39.47 94.0 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.878 0.871 . . . . 0.0 111.995 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.5 ptt85 -71.07 -21.92 62.18 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 173.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -75.84 -34.52 60.08 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.706 0.802 . . . . 0.0 112.255 170.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 72.0 mmm -59.46 -22.18 61.16 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 120.924 1.693 . . . . 0.0 113.095 176.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.2 mt -59.15 -26.56 64.87 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.978 1.311 . . . . 0.0 113.416 173.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.479 1.01 0 CA-C-N 118.887 0.767 . . . . 0.0 112.501 177.126 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.3 mt . . . . . 0 CA--C 1.54 0.561 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -122.28 147.96 45.6 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.292 1.437 . . . . 0.0 111.528 -174.037 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -137.26 144.43 42.71 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.696 1.199 . . . . 0.0 112.996 -169.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -89.17 120.95 31.01 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.981 1.713 . . . . 0.0 111.122 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -82.74 3.18 30.32 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 176.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.2 mm -102.48 -44.03 9.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.45 1.1 . . . . 0.0 111.769 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.2 p -134.78 6.31 3.43 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -170.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 67.52 14.61 9.64 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 169.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -70.9 156.02 40.1 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.612 1.165 . . . . 0.0 111.875 169.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -136.86 151.99 49.73 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -174.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -142.02 158.45 43.75 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.638 1.175 . . . . 0.0 113.063 -169.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -82.41 -39.67 22.32 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.567 1.147 . . . . 0.0 113.493 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -108.06 158.31 17.51 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.601 1.16 . . . . 0.0 112.005 174.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.1 -40.82 95.1 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.234 0.613 . . . . 0.0 110.162 174.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.7 tp -56.11 -50.47 70.98 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.961 1.304 . . . . 0.0 111.358 174.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -62.04 -29.81 70.54 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -78.97 -44.54 22.21 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.275 1.03 . . . . 0.0 111.558 171.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -62.43 -38.17 88.69 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.774 0.83 . . . . 0.0 112.297 -177.47 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.7 ptt85 -70.65 -23.37 62.51 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 172.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -75.54 -34.83 60.78 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.639 0.776 . . . . 0.0 112.096 170.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 78.8 mmm -59.2 -21.79 60.03 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 120.957 1.708 . . . . 0.0 113.286 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.9 mt -58.84 -29.35 66.85 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.674 1.189 . . . . 0.0 112.938 173.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.481 1.088 0 CA-C-N 118.808 0.731 . . . . 0.0 112.464 178.365 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 N--CA 1.47 0.561 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -126.31 149.75 48.95 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.392 1.477 . . . . 0.0 111.283 -171.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -135.21 144.2 46.8 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -172.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.84 130.26 35.01 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.077 1.751 . . . . 0.0 110.494 171.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -89.98 1.66 56.02 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 176.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.4 mm -100.74 -45.16 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.546 1.138 . . . . 0.0 111.378 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.9 p -129.55 10.24 5.62 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 -172.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 63.44 12.18 6.13 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 169.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -69.8 164.7 23.06 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.319 1.448 . . . . 0.0 111.969 169.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -140.36 155.03 46.92 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -176.5 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -140.38 159.85 41.29 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.216 1.406 . . . . 0.0 113.676 -169.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -73.61 -36.82 65.53 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.43 1.092 . . . . 0.0 113.497 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -124.72 159.41 30.93 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.05 1.34 . . . . 0.0 111.676 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -61.34 -38.98 88.89 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.314 173.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.89 -52.87 63.87 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.206 1.402 . . . . 0.0 112.049 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -59.23 -37.52 77.73 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.497 0.589 . . . . 0.0 112.255 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -71.68 -45.01 63.24 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.813 0.845 . . . . 0.0 111.338 174.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -61.35 -40.15 93.19 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.873 0.869 . . . . 0.0 112.35 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -73.51 -23.34 60.01 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 173.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -70.4 -32.9 70.73 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.714 0.688 . . . . 0.0 112.249 169.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.2 mmm -57.96 -24.84 59.71 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.887 1.676 . . . . 0.0 113.17 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.8 mt -60.13 -24.89 65.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.916 1.286 . . . . 0.0 113.543 175.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.481 1.081 0 O-C-N 121.544 -0.723 . . . . 0.0 112.633 176.384 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 CA--C 1.54 0.578 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -118.36 141.83 48.14 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.104 1.362 . . . . 0.0 111.223 -174.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -128.88 143.41 50.89 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -171.159 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -79.12 129.49 34.51 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.856 1.662 . . . . 0.0 110.469 169.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -90.21 3.53 53.22 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 175.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.9 mm -103.41 -44.7 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.737 1.215 . . . . 0.0 111.343 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -133.25 11.54 4.18 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -172.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 64.53 6.72 3.29 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 169.379 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -63.7 153.04 37.45 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.036 1.334 . . . . 0.0 112.023 169.471 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -136.02 151.36 49.8 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.258 1.023 . . . . 0.0 112.76 -173.122 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -140.31 160.25 40.39 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.041 1.336 . . . . 0.0 113.867 -167.712 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -74.23 -37.41 63.83 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.318 1.047 . . . . 0.0 113.655 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -124.12 159.65 29.53 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.242 1.417 . . . . 0.0 111.493 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -62.04 -39.87 93.8 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.29 174.372 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.3 tp -56.97 -52.36 65.56 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.102 1.361 . . . . 0.0 111.884 174.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -62.34 -32.08 72.81 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -175.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -75.78 -44.17 42.81 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.161 0.984 . . . . 0.0 111.292 172.515 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -62.64 -39.24 93.23 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.827 0.851 . . . . 0.0 112.03 -178.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.8 ptt85 -70.81 -22.88 62.3 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 173.229 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -74.72 -35.19 62.68 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.559 0.744 . . . . 0.0 112.09 169.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.5 mmm -58.24 -22.64 53.02 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 121.021 1.737 . . . . 0.0 113.287 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.5 mt -58.96 -26.71 64.68 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.873 1.269 . . . . 0.0 113.468 173.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.481 1.076 0 CA-C-N 118.771 0.714 . . . . 0.0 112.4 176.919 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.4 mt . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -121.81 146.43 47.08 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.039 1.336 . . . . 0.0 111.491 -174.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -131.77 144.05 50.66 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 -171.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.9 t -80.81 131.22 35.38 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.815 1.646 . . . . 0.0 110.194 169.439 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -91.71 4.88 51.72 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 176.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.8 mm -105.59 -43.6 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.778 1.231 . . . . 0.0 111.654 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p -133.19 6.31 3.87 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -171.558 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 67.59 7.95 6.0 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 116.018 1.858 . . . . 0.0 116.018 170.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -62.39 152.44 34.11 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.579 1.152 . . . . 0.0 111.856 169.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -135.95 151.2 49.69 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.328 1.051 . . . . 0.0 112.485 -173.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -138.76 162.54 34.45 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -166.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -76.12 -41.59 49.69 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.266 1.427 . . . . 0.0 112.936 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -129.3 161.74 29.54 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.076 1.351 . . . . 0.0 111.56 176.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.32 -38.03 85.38 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.667 1.187 . . . . 0.0 110.812 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.1 tp -57.54 -51.15 70.66 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.05 1.34 . . . . 0.0 111.973 176.061 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -63.02 -33.6 75.78 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.733 0.813 . . . . 0.0 112.204 -176.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -73.57 -44.86 56.33 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.215 1.006 . . . . 0.0 111.473 172.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -62.17 -40.33 95.67 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.683 0.793 . . . . 0.0 112.175 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -70.77 -21.66 62.48 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 173.216 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -74.72 -35.22 62.68 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.694 0.798 . . . . 0.0 111.842 169.493 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 79.3 mmm -58.54 -21.76 53.48 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 121.003 1.729 . . . . 0.0 113.369 175.761 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.4 mt -60.75 -23.54 65.03 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.158 1.383 . . . . 0.0 113.835 173.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.479 1.002 0 C-N-CA 123.451 0.7 . . . . 0.0 112.391 175.532 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 CA--C 1.539 0.526 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -122.99 145.8 48.18 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.132 1.373 . . . . 0.0 111.781 -173.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -133.24 145.33 50.44 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.523 1.129 . . . . 0.0 113.454 -174.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -82.52 125.87 31.62 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.751 1.62 . . . . 0.0 110.385 171.374 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -86.42 5.83 33.15 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.7 mm -105.3 -43.23 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.67 1.188 . . . . 0.0 111.702 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -134.49 5.91 3.49 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -171.762 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 68.16 10.62 7.94 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 115.996 1.85 . . . . 0.0 115.996 170.041 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -65.92 157.64 30.14 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.652 1.181 . . . . 0.0 111.931 169.132 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -138.59 152.63 48.32 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -174.266 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -141.78 159.67 41.75 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.759 1.224 . . . . 0.0 113.666 -168.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -77.53 -35.21 53.54 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.313 1.045 . . . . 0.0 113.773 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -129.41 160.64 32.47 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.843 1.257 . . . . 0.0 111.262 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -61.29 -38.76 87.94 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.273 1.029 . . . . 0.0 110.711 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.3 tp -56.47 -52.52 64.39 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.163 1.385 . . . . 0.0 111.855 176.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -61.97 -32.36 72.8 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.675 1.19 . . . . 0.0 112.81 -177.069 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -76.7 -43.54 37.2 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.852 0.861 . . . . 0.0 111.419 173.072 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -63.7 -40.4 96.71 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.848 0.859 . . . . 0.0 111.997 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -70.28 -24.85 63.11 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 173.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -72.9 -36.34 67.28 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.305 0.642 . . . . 0.0 111.728 169.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.1 mtp -59.79 -20.83 59.15 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 120.573 1.533 . . . . 0.0 113.564 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.7 mt -58.92 -30.21 67.66 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.701 1.2 . . . . 0.0 113.095 172.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.482 1.16 0 CA-C-N 119.156 0.889 . . . . 0.0 112.629 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.5 mt . . . . . 0 CA--C 1.543 0.679 0 N-CA-C 115.786 1.773 . . . . 0.0 115.786 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -119.73 146.14 45.91 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.869 1.268 . . . . 0.0 111.32 -171.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -135.45 148.37 49.24 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -169.66 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.7 t -86.3 126.82 34.59 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.53 1.532 . . . . 0.0 110.171 169.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -86.28 -1.35 57.41 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 176.105 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 mp -102.85 -43.54 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.766 1.227 . . . . 0.0 111.574 -174.617 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -125.71 6.17 7.46 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 67.07 14.08 9.69 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 169.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.4 mtt-85 -71.09 163.82 26.83 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.853 1.261 . . . . 0.0 112.105 170.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -136.98 153.18 50.75 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.692 1.197 . . . . 0.0 113.165 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -137.65 153.46 49.85 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 125.485 1.514 . . . . 0.0 112.283 -172.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -74.24 -39.33 63.13 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.697 0.799 . . . . 0.0 112.736 -176.137 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -124.42 160.62 27.78 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.057 1.343 . . . . 0.0 111.496 178.363 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -65.18 -33.34 75.78 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.607 0.763 . . . . 0.0 111.681 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.1 tp -59.23 -49.4 77.99 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.413 1.085 . . . . 0.0 111.519 174.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.38 -35.32 78.81 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.61 1.164 . . . . 0.0 112.54 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -44.39 62.63 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.585 0.754 . . . . 0.0 111.612 172.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -61.25 -44.17 97.68 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.449 0.7 . . . . 0.0 111.747 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -69.4 -23.77 63.76 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -74.08 -37.45 64.19 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.779 -0.629 . . . . 0.0 112.186 168.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.3 mtp -61.22 -20.22 62.55 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.878 1.672 . . . . 0.0 113.35 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.5 mt -57.13 -29.69 63.78 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.788 1.235 . . . . 0.0 113.036 171.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.481 1.089 0 CA-C-N 118.99 0.814 . . . . 0.0 112.718 178.936 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 CA--C 1.54 0.574 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -121.57 141.98 50.55 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.961 1.304 . . . . 0.0 111.344 -173.63 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -127.22 144.67 50.99 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -172.297 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -81.03 130.17 34.89 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.922 1.689 . . . . 0.0 110.269 169.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -92.1 5.71 49.25 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.2 mm -105.87 -43.74 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.661 1.184 . . . . 0.0 111.425 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -130.49 10.98 5.28 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 -174.752 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 63.64 12.96 6.96 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 169.327 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -70.42 162.92 27.77 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.154 1.382 . . . . 0.0 112.271 169.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -140.13 150.75 44.64 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.72 1.208 . . . . 0.0 113.439 -174.329 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -138.73 159.33 42.37 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.702 1.601 . . . . 0.0 113.681 -168.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -73.2 -37.96 66.27 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.168 0.987 . . . . 0.0 113.29 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -124.06 158.95 31.0 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.256 1.422 . . . . 0.0 111.688 -175.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.58 -40.13 95.89 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.12 174.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.82 -51.51 69.29 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.279 1.432 . . . . 0.0 111.852 175.456 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -63.98 -33.03 74.81 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -176.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -71.68 -45.14 62.81 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.023 0.529 . . . . 0.0 111.073 170.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -62.35 -40.31 95.99 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.648 0.779 . . . . 0.0 112.801 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -69.79 -23.04 63.29 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 173.168 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -75.0 -34.69 61.98 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.451 0.701 . . . . 0.0 112.158 169.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.9 mmm -58.81 -22.36 58.33 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 121.063 1.756 . . . . 0.0 113.131 175.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.0 mt -59.01 -27.59 65.58 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.73 1.212 . . . . 0.0 113.183 174.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.48 1.036 0 CA-C-N 118.77 0.714 . . . . 0.0 112.274 176.882 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -120.24 144.72 47.6 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.785 1.234 . . . . 0.0 111.628 -172.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -129.15 141.99 51.01 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.285 1.034 . . . . 0.0 113.31 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -83.79 120.65 26.3 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.85 1.66 . . . . 0.0 109.945 169.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -80.29 3.38 21.14 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.7 mm -99.01 -41.02 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.625 1.17 . . . . 0.0 111.755 -178.679 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.7 p -134.15 1.13 3.2 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.498 1.519 . . . . 0.0 114.772 -170.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 69.04 8.41 6.82 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 175.266 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -65.85 154.28 39.63 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.283 -0.886 . . . . 0.0 111.496 169.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -137.07 150.94 48.37 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.551 1.14 . . . . 0.0 113.139 -170.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -139.87 162.38 35.31 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.895 1.278 . . . . 0.0 114.302 -167.47 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -43.17 45.12 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.617 1.167 . . . . 0.0 112.726 -176.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -125.4 161.33 27.29 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.425 1.49 . . . . 0.0 111.225 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -62.22 -38.39 89.01 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.092 0.957 . . . . 0.0 110.769 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.5 tp -56.75 -50.91 70.84 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.225 1.41 . . . . 0.0 111.982 176.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -61.28 -36.75 80.93 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.695 1.198 . . . . 0.0 112.652 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -72.48 -44.29 62.49 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.62 0.768 . . . . 0.0 111.114 174.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -62.86 -41.35 99.34 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.989 0.916 . . . . 0.0 112.245 -178.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -71.28 -23.91 62.06 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 174.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -73.08 -36.19 66.78 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 118.869 -0.586 . . . . 0.0 111.733 168.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.5 mtp -59.26 -21.08 59.06 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 120.889 1.677 . . . . 0.0 113.557 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.72 -29.0 66.35 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.702 1.201 . . . . 0.0 113.17 172.141 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.482 1.16 0 CA-C-N 119.152 0.887 . . . . 0.0 112.654 178.026 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -120.72 143.07 48.96 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.08 1.352 . . . . 0.0 111.259 -174.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -129.94 142.68 50.61 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -171.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.7 t -77.78 132.49 38.1 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.999 1.719 . . . . 0.0 110.929 169.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -92.12 3.58 55.0 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 175.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.1 mm -103.54 -43.42 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.679 1.191 . . . . 0.0 111.717 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -134.36 5.17 3.47 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -171.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 67.73 8.62 6.52 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.983 1.846 . . . . 0.0 115.983 170.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -62.76 152.45 35.76 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.484 1.113 . . . . 0.0 111.7 169.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -135.46 150.87 49.94 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.181 0.992 . . . . 0.0 112.866 -172.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -139.68 160.14 40.56 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.056 1.342 . . . . 0.0 113.952 -167.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -76.15 -35.26 59.27 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.639 1.176 . . . . 0.0 113.783 -176.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -131.81 161.29 33.27 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.046 1.339 . . . . 0.0 111.098 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.4 -38.3 86.57 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.192 0.997 . . . . 0.0 110.883 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.8 tp -56.99 -52.67 64.34 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.111 1.364 . . . . 0.0 111.91 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -61.86 -32.28 72.62 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.634 1.174 . . . . 0.0 112.794 -177.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -76.05 -44.07 40.85 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.788 0.835 . . . . 0.0 111.493 172.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -62.62 -39.58 94.25 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.752 0.821 . . . . 0.0 111.956 -178.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.1 ptt85 -72.4 -23.8 61.15 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 172.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -70.15 -33.49 71.85 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.964 0.802 . . . . 0.0 112.243 169.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 70.1 mmm -58.91 -21.94 58.66 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 120.856 1.662 . . . . 0.0 113.321 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.8 mt -61.65 -26.34 67.95 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.915 1.286 . . . . 0.0 113.405 174.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.481 1.089 0 CA-C-N 118.856 0.753 . . . . 0.0 112.178 176.603 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 CA--C 1.54 0.576 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -121.11 151.99 39.23 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.756 1.222 . . . . 0.0 111.952 -173.33 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -136.94 144.95 43.68 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.135 0.974 . . . . 0.0 113.557 -174.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -82.13 127.83 33.52 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.87 1.668 . . . . 0.0 109.724 169.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -90.97 9.55 30.17 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.7 mm -108.21 -41.8 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.791 1.237 . . . . 0.0 111.409 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.5 p -133.86 12.6 4.0 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 -174.448 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 64.06 9.7 4.85 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 169.453 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -66.76 157.34 33.08 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.121 1.369 . . . . 0.0 112.417 169.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -134.52 152.16 51.6 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.721 1.208 . . . . 0.0 112.553 -176.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -140.55 159.88 41.23 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.677 1.191 . . . . 0.0 113.969 -169.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -77.46 -42.13 37.05 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.567 1.147 . . . . 0.0 113.4 -175.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -124.55 160.6 28.0 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.732 1.213 . . . . 0.0 111.931 174.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.45 -38.94 89.03 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.784 1.234 . . . . 0.0 110.594 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 tp -55.97 -50.55 70.5 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.035 1.334 . . . . 0.0 111.671 175.588 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -63.58 -33.57 75.89 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.061 0.846 . . . . 0.0 112.493 -175.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -74.24 -43.65 56.17 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.375 1.07 . . . . 0.0 111.525 173.089 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -63.49 -41.67 98.56 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.709 0.804 . . . . 0.0 112.048 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -69.39 -23.22 63.69 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 173.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -74.53 -35.92 63.16 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.646 0.778 . . . . 0.0 112.089 169.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.3 mtp -60.37 -20.3 58.95 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 120.933 1.697 . . . . 0.0 113.529 177.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.1 mt -58.81 -30.88 67.95 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.614 1.166 . . . . 0.0 112.821 171.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.482 1.149 0 CA-C-N 119.229 0.922 . . . . 0.0 112.675 179.597 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 CA--C 1.54 0.587 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -122.82 143.54 49.78 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.241 1.417 . . . . 0.0 111.415 -175.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -131.56 144.59 51.21 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.458 1.103 . . . . 0.0 113.38 -174.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.3 t -79.46 126.32 30.7 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.566 1.546 . . . . 0.0 110.505 172.195 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -86.11 4.27 39.01 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.8 mm -104.11 -45.56 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.575 1.15 . . . . 0.0 111.457 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 p -133.01 11.29 4.26 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 -171.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 65.27 3.47 2.27 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 169.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -60.35 154.93 19.07 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.112 1.765 . . . . 0.0 112.373 169.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -139.16 151.27 46.49 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -169.36 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -142.54 159.25 42.61 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.829 1.252 . . . . 0.0 113.443 -168.281 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -80.25 -32.6 38.29 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -178.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -126.99 158.34 37.16 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.21 1.004 . . . . 0.0 111.283 177.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.01 -38.21 85.27 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.177 0.991 . . . . 0.0 110.643 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.0 tp -56.4 -52.65 63.84 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.103 1.361 . . . . 0.0 111.889 176.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -61.59 -32.54 72.65 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.605 1.162 . . . . 0.0 112.846 -177.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -77.18 -43.2 34.66 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.88 0.872 . . . . 0.0 111.513 173.321 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -63.66 -40.42 96.8 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.832 0.853 . . . . 0.0 111.951 -178.313 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.3 ptt85 -70.57 -25.13 62.94 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 173.753 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -72.2 -36.34 69.17 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.333 0.653 . . . . 0.0 111.768 169.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.1 mtp -59.92 -20.84 59.67 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.225 -1.547 . . . . 0.0 113.489 177.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.4 mt -59.92 -30.79 69.28 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.598 1.159 . . . . 0.0 112.997 172.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.482 1.129 0 CA-C-N 119.089 0.858 . . . . 0.0 112.349 -179.547 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -124.14 145.07 49.53 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.841 1.256 . . . . 0.0 111.802 -174.298 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -132.66 145.7 51.28 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.474 1.11 . . . . 0.0 113.748 -173.314 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -81.22 131.35 35.29 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.377 1.871 . . . . 0.0 110.835 173.081 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -89.99 2.46 55.11 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 176.33 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.0 mm -102.69 -46.22 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.526 1.13 . . . . 0.0 111.375 177.145 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.6 p -130.36 9.59 5.18 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 115.691 1.738 . . . . 0.0 115.691 -172.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 64.78 4.37 2.37 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 170.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -62.19 159.74 14.25 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.723 1.609 . . . . 0.0 112.172 170.389 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -141.43 152.52 44.35 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -168.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -141.92 159.29 42.52 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.654 1.181 . . . . 0.0 113.986 -168.364 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -78.69 -34.25 46.29 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.501 1.121 . . . . 0.0 113.916 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -128.88 159.12 36.79 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.295 1.038 . . . . 0.0 111.207 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.2 -38.57 87.04 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.05 0.94 . . . . 0.0 110.679 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.3 tp -56.9 -51.0 70.82 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.335 1.454 . . . . 0.0 111.923 176.497 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -62.89 -35.49 80.18 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.345 1.058 . . . . 0.0 112.795 -177.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -72.77 -44.53 61.48 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.158 0.583 . . . . 0.0 111.106 172.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -61.9 -40.4 95.32 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.726 0.81 . . . . 0.0 112.409 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -72.85 -23.21 60.72 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 173.352 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -70.53 -35.01 72.92 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 118.683 0.674 . . . . 0.0 112.137 169.379 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 75.0 mmm -58.23 -23.18 54.97 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.859 1.663 . . . . 0.0 113.462 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.2 mt -60.44 -27.63 67.65 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.837 1.255 . . . . 0.0 113.236 174.761 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.482 1.143 0 CA-C-N 119.048 0.84 . . . . 0.0 112.676 178.097 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.515 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -138.09 155.1 49.11 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.202 1.401 . . . . 0.0 112.108 -175.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 t -148.07 153.65 39.18 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.15 1.38 . . . . 0.0 111.647 176.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.58 157.08 48.91 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.573 1.083 . . . . 0.0 114.301 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -76.16 -14.79 60.16 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.562 1.145 . . . . 0.0 113.98 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.6 p -148.68 168.21 23.46 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.53 1.932 . . . . 0.0 111.604 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.22 172.73 42.92 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.882 0.754 . . . . 0.0 114.552 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.4 mt -82.09 134.07 35.31 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.468 1.107 . . . . 0.0 109.589 173.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.6 mt -102.42 -28.01 12.47 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -168.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -120.52 146.14 46.59 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.892 1.277 . . . . 0.0 111.627 -174.128 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -132.01 141.78 49.37 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -171.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.7 t -76.58 131.77 39.11 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.627 1.571 . . . . 0.0 110.751 169.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -90.64 3.62 53.67 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.9 mm -103.91 -44.45 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.586 1.154 . . . . 0.0 111.747 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.8 p -132.19 2.94 3.96 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -171.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 68.49 7.71 6.19 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.59 150.21 47.35 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.103 -0.998 . . . . 0.0 110.844 169.488 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -127.37 157.88 38.76 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.217 1.007 . . . . 0.0 112.697 -173.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -143.45 160.85 39.83 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.961 1.304 . . . . 0.0 114.08 -168.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -77.54 -36.49 52.24 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.651 1.18 . . . . 0.0 113.449 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -120.74 158.9 26.51 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.917 1.287 . . . . 0.0 111.624 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -61.69 -39.47 91.56 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.286 172.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.0 tp -58.35 -50.87 72.09 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.349 1.46 . . . . 0.0 112.164 176.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -58.81 -37.28 76.04 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -75.15 -43.55 51.88 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.582 1.153 . . . . 0.0 111.405 175.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -61.78 -41.17 97.37 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.998 0.919 . . . . 0.0 112.394 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.5 ptt-85 -73.03 -23.39 60.59 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 173.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -68.7 -33.61 74.25 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.813 0.733 . . . . 0.0 111.975 169.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 74.3 mmm -59.11 -22.3 60.63 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.613 1.551 . . . . 0.0 113.364 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.2 mt -61.57 -28.57 69.43 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.478 1.111 . . . . 0.0 113.052 174.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m -67.34 -25.55 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.023 0.829 . . . . 0.0 112.026 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -90.92 -39.54 12.22 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.482 1.513 . . . . 0.0 111.491 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.12 -18.92 60.94 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.035 1.302 . . . . 0.0 114.634 176.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -61.51 -23.82 66.18 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.968 1.307 . . . . 0.0 113.35 171.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -84.42 59.75 5.61 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.411 1.485 . . . . 0.0 111.289 174.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.5 p-90 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 125.147 1.379 . . . . 0.0 113.358 177.624 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.531 -0.628 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m 52.45 32.86 12.01 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.842 1.657 . . . . 0.0 115.333 174.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.8 m -134.55 152.86 52.07 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.694 1.598 . . . . 0.0 112.199 -173.478 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.04 -160.92 54.12 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 124.324 0.964 . . . . 0.0 114.269 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.0 p -144.75 170.04 16.87 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.716 1.606 . . . . 0.0 112.095 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.5 p -76.15 -9.97 59.04 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.71 147.57 4.98 Favored Glycine 0 N--CA 1.469 0.89 0 C-N-CA 124.053 0.835 . . . . 0.0 114.864 170.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 98.1 mt -136.27 136.03 39.49 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.606 1.963 . . . . 0.0 108.845 171.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -131.5 -25.33 2.16 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -169.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -124.64 145.37 49.68 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.727 1.211 . . . . 0.0 111.337 -173.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -132.37 144.04 50.25 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -171.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.5 t -79.29 132.42 36.46 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.002 1.721 . . . . 0.0 110.953 171.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -92.55 3.6 55.2 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.7 mm -103.29 -43.17 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.64 1.176 . . . . 0.0 111.789 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.3 p -132.02 5.49 4.2 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -172.298 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 66.46 12.89 8.99 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 115.56 1.689 . . . . 0.0 115.56 170.528 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -68.41 162.73 24.78 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.607 1.163 . . . . 0.0 111.938 169.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -139.44 150.35 45.12 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.478 1.111 . . . . 0.0 113.587 -173.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -136.92 160.87 37.61 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.472 1.509 . . . . 0.0 113.505 -169.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -79.3 -38.6 34.9 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.4 1.08 . . . . 0.0 113.476 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -126.36 161.52 27.66 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.166 1.386 . . . . 0.0 111.591 177.423 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.83 -36.58 83.66 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.613 1.165 . . . . 0.0 111.342 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.4 tp -59.9 -48.64 80.87 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.837 1.655 . . . . 0.0 111.989 176.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.77 -36.4 82.96 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.377 1.071 . . . . 0.0 112.385 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -71.02 -43.52 67.74 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.151 0.58 . . . . 0.0 111.242 172.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.16 -44.23 97.64 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.049 0.84 . . . . 0.0 112.114 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -71.01 -23.59 62.21 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 177.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -69.18 -36.22 77.12 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 118.578 -0.725 . . . . 0.0 112.388 169.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 63.9 mmm -58.76 -22.06 57.09 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.928 1.695 . . . . 0.0 113.454 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.9 mt -59.71 -30.3 68.7 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.326 1.051 . . . . 0.0 112.731 173.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.8 m -67.23 -21.27 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.126 0.875 . . . . 0.0 112.493 177.421 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -97.23 -40.41 8.78 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.032 1.733 . . . . 0.0 112.072 175.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.14 -28.11 62.85 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.564 1.078 . . . . 0.0 115.006 -177.698 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -120.22 32.11 6.18 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.877 1.671 . . . . 0.0 112.402 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -69.75 -9.03 52.96 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 126.196 1.799 . . . . 0.0 115.605 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 12.1 m95 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 127.265 2.226 . . . . 0.0 114.13 -169.205 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 112.042 -0.423 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 m 61.45 171.04 0.11 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.541 1.936 . . . . 0.0 115.03 -176.096 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.0 p -82.54 -14.35 55.06 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.762 1.394 . . . . 0.0 114.762 -177.045 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.1 157.01 53.57 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.519 1.057 . . . . 0.0 114.101 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 t -150.11 157.85 43.55 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.133 1.373 . . . . 0.0 111.72 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -79.42 42.47 0.51 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.2 1.8 . . . . 0.0 113.658 -175.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.33 -164.89 26.15 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.379 1.466 . . . . 0.0 114.471 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.1 mt -84.42 130.86 34.73 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.281 1.032 . . . . 0.0 109.598 174.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.3 mt -128.96 -23.94 2.99 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.776 1.23 . . . . 0.0 114.303 -169.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -120.25 141.69 49.73 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.282 1.433 . . . . 0.0 111.104 -174.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -128.28 144.26 51.11 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -171.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -79.4 132.89 36.53 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.156 1.782 . . . . 0.0 110.848 170.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -92.48 2.96 56.38 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.7 mm -102.68 -44.16 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.49 1.116 . . . . 0.0 111.69 177.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -132.96 5.5 3.88 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -170.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 67.32 11.98 8.68 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 169.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -65.77 156.04 34.35 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.733 1.213 . . . . 0.0 112.049 169.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -134.73 150.23 50.56 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.305 1.042 . . . . 0.0 112.895 -175.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -139.28 159.01 43.17 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.412 1.485 . . . . 0.0 113.578 -168.559 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -74.76 -35.83 62.57 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.22 1.008 . . . . 0.0 113.66 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -123.17 158.99 29.55 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.0 1.32 . . . . 0.0 111.682 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.7 -39.14 90.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.654 0.782 . . . . 0.0 110.28 173.5 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.2 tp -58.52 -53.04 62.84 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.284 1.433 . . . . 0.0 111.931 176.401 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -59.06 -37.11 76.27 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.651 0.66 . . . . 0.0 112.496 -177.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -72.26 -44.97 62.03 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.001 0.92 . . . . 0.0 111.335 174.748 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.7 -38.97 89.82 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.892 0.877 . . . . 0.0 112.189 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -73.19 -25.05 60.62 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 172.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -69.07 -34.82 75.75 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.945 0.793 . . . . 0.0 112.206 169.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 75.0 mmm -58.35 -23.35 56.52 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.783 1.629 . . . . 0.0 113.571 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.67 -28.97 67.73 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.668 1.187 . . . . 0.0 113.159 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 m -69.21 -22.8 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 118.88 0.764 . . . . 0.0 112.702 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -89.39 -10.29 47.1 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.554 1.542 . . . . 0.0 113.458 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.9 -118.26 7.43 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.383 0.992 . . . . 0.0 112.871 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.3 t70 63.05 -27.13 0.07 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 128.469 2.708 . . . . 0.0 116.644 -177.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -72.49 -15.43 61.79 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.809 1.644 . . . . 0.0 114.538 174.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 51.7 m95 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 125.702 1.601 . . . . 0.0 113.374 -171.877 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m -65.66 -15.57 62.9 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 115.096 1.517 . . . . 0.0 115.096 -172.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -75.25 -8.43 56.61 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.127 1.371 . . . . 0.0 114.49 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.7 159.12 49.0 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.413 1.006 . . . . 0.0 114.392 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -142.86 162.24 35.97 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.467 1.507 . . . . 0.0 112.754 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -152.3 179.95 8.08 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.466 1.506 . . . . 0.0 111.953 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.12 -10.02 72.06 Favored Glycine 0 N--CA 1.474 1.209 0 C-N-CA 125.892 1.711 . . . . 0.0 115.867 175.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.1 mt -120.45 124.09 44.59 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.119 1.368 . . . . 0.0 109.014 174.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.2 mt -121.84 -24.97 5.11 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -168.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -121.75 140.57 52.16 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.818 1.247 . . . . 0.0 111.314 -173.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -129.9 145.94 51.61 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 -172.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.4 t -83.46 125.05 31.32 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.01 1.724 . . . . 0.0 109.799 169.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -84.31 -0.15 51.37 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.8 mp -103.32 -43.72 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.791 1.236 . . . . 0.0 111.497 -174.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.5 p -128.75 6.65 5.6 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 67.44 12.55 8.96 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 169.172 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -68.16 156.42 37.56 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.686 1.194 . . . . 0.0 112.399 169.517 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -136.07 150.21 49.06 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.622 1.169 . . . . 0.0 112.752 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -139.09 160.51 39.61 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.255 1.422 . . . . 0.0 113.388 -168.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -74.53 -39.11 62.55 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.388 1.075 . . . . 0.0 113.253 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -122.71 160.25 26.26 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.541 1.537 . . . . 0.0 111.66 -177.161 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.73 -40.55 97.56 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.326 0.651 . . . . 0.0 110.286 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.5 tp -56.41 -51.96 66.41 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.109 1.364 . . . . 0.0 111.815 175.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -62.79 -31.41 72.37 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -176.138 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -76.58 -43.9 36.85 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.024 0.93 . . . . 0.0 111.253 172.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -63.28 -39.47 94.68 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.848 0.859 . . . . 0.0 112.145 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.0 ptt85 -69.39 -23.51 63.74 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 173.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -76.43 -33.17 58.8 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.639 0.776 . . . . 0.0 111.729 169.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 44.8 mtp -61.57 -19.99 62.79 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 121.138 1.79 . . . . 0.0 113.373 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.8 mt -58.95 -24.54 62.64 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.017 1.327 . . . . 0.0 113.53 171.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m -74.53 -20.4 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 O-C-N 121.652 -0.655 . . . . 0.0 112.677 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -102.95 -48.49 4.05 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.866 1.666 . . . . 0.0 112.886 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.16 121.25 6.11 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.762 1.172 . . . . 0.0 112.844 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -83.89 -35.91 23.76 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.585 1.154 . . . . 0.0 113.5 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -143.09 13.48 1.84 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.676 1.99 . . . . 0.0 113.646 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 64.9 m95 . . . . . 0 C--O 1.253 1.284 0 C-N-CA 126.274 1.83 . . . . 0.0 112.687 -171.195 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.462 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -79.33 -10.94 59.92 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -174.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -148.17 169.28 20.38 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.801 1.64 . . . . 0.0 111.578 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.89 164.94 34.47 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 125.253 1.406 . . . . 0.0 113.404 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -74.73 -14.67 60.75 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.096 1.517 . . . . 0.0 115.096 -170.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 m -143.92 146.25 32.84 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.662 1.585 . . . . 0.0 112.1 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.41 142.54 30.39 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 123.753 0.692 . . . . 0.0 111.646 169.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.8 mt -111.59 134.14 53.36 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.576 1.15 . . . . 0.0 109.849 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.7 mt -119.41 -25.07 6.15 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -168.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -119.42 143.56 47.41 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.025 1.33 . . . . 0.0 111.552 -173.162 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -130.54 143.78 50.98 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -171.629 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.1 t -80.49 131.43 35.56 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.99 1.716 . . . . 0.0 110.475 169.694 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 -91.9 3.82 54.32 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 176.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.7 mm -103.65 -43.27 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.664 1.186 . . . . 0.0 111.661 178.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -133.94 5.88 3.63 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -171.456 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 67.79 7.66 5.88 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 170.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -62.55 153.01 33.22 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.588 1.155 . . . . 0.0 111.743 169.464 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -135.5 152.3 51.2 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.307 1.043 . . . . 0.0 112.633 -173.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -142.46 161.36 38.24 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.865 1.266 . . . . 0.0 113.903 -167.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -79.64 -43.64 22.43 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.764 1.225 . . . . 0.0 113.259 -175.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -110.03 160.49 16.39 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.656 1.182 . . . . 0.0 111.946 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.13 -40.04 94.6 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.367 0.667 . . . . 0.0 110.299 171.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.1 tp -57.73 -50.19 74.03 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.17 1.388 . . . . 0.0 112.012 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -57.4 -35.83 70.53 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -78.22 -43.82 27.33 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.544 1.138 . . . . 0.0 111.727 175.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -61.2 -40.0 92.3 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.023 0.929 . . . . 0.0 112.451 -177.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.1 ptt-85 -72.91 -23.7 60.74 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -69.65 -34.37 73.92 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.862 0.755 . . . . 0.0 112.08 169.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.3 mmm -59.16 -22.11 60.44 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.775 1.625 . . . . 0.0 113.395 176.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.6 mt -61.55 -25.69 67.46 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.648 1.179 . . . . 0.0 113.358 174.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m -70.59 -24.37 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-N 118.77 0.714 . . . . 0.0 112.3 175.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -93.74 -33.39 13.63 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.724 1.61 . . . . 0.0 112.409 176.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.72 -168.86 54.82 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.081 1.324 . . . . 0.0 114.455 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -133.03 -98.54 0.28 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.261 1.424 . . . . 0.0 110.204 -178.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt 55.09 25.07 6.67 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 126.784 2.033 . . . . 0.0 114.911 172.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.1 m95 . . . . . 0 C--O 1.253 1.283 0 C-N-CA 125.674 1.589 . . . . 0.0 113.302 -178.534 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 112.053 -0.419 . . . . 0.0 112.053 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t -72.35 148.43 45.33 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.923 0.889 . . . . 0.0 112.607 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 p -83.58 -11.03 57.86 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.142 1.377 . . . . 0.0 113.644 171.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.65 143.04 36.17 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.464 1.031 . . . . 0.0 113.598 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 m -76.75 151.3 36.07 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.624 1.17 . . . . 0.0 113.044 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -144.5 152.25 40.31 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.626 1.57 . . . . 0.0 111.16 172.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.14 -48.48 1.75 Allowed Glycine 0 N--CA 1.477 1.393 0 C-N-CA 125.144 1.354 . . . . 0.0 114.194 -174.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.3 mt -86.88 127.44 35.04 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 125.979 1.711 . . . . 0.0 109.389 174.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.9 mt -125.31 -23.25 4.18 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.496 1.118 . . . . 0.0 113.929 -171.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -123.96 143.94 50.1 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.247 1.419 . . . . 0.0 111.391 -174.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -134.11 147.54 50.86 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 -172.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.3 t -83.52 137.48 33.85 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.702 2.001 . . . . 0.0 110.516 170.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -95.13 1.83 54.96 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 177.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.0 mp -108.93 -44.47 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.638 1.175 . . . . 0.0 111.402 -175.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.3 p -124.39 4.74 8.38 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 67.74 4.58 3.99 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.967 1.839 . . . . 0.0 115.967 170.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -62.24 159.17 15.49 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.577 1.551 . . . . 0.0 112.458 172.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -140.97 153.14 45.46 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -168.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -143.01 158.79 43.27 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 114.789 -1.096 . . . . 0.0 113.63 -169.03 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -77.62 -36.81 51.34 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.417 1.087 . . . . 0.0 113.498 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -118.35 158.02 26.02 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.086 1.354 . . . . 0.0 111.624 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -63.02 -39.73 95.64 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.213 174.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.5 tp -56.54 -52.4 64.94 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.067 1.347 . . . . 0.0 111.785 174.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -62.34 -32.01 72.72 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -175.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -75.75 -44.68 40.45 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.951 0.9 . . . . 0.0 111.191 172.144 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -62.46 -38.52 90.13 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.691 0.797 . . . . 0.0 112.393 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.0 ptt85 -70.13 -22.09 63.03 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 172.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -78.13 -33.08 50.66 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.003 0.921 . . . . 0.0 112.107 169.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 81.8 mmm -60.25 -21.07 61.42 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.859 1.663 . . . . 0.0 113.149 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.9 mt -58.16 -29.53 65.67 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.69 1.196 . . . . 0.0 112.832 173.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.6 m -71.5 -20.95 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-N 118.832 0.742 . . . . 0.0 112.733 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -101.36 -3.12 29.36 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.673 1.989 . . . . 0.0 113.46 177.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.6 125.62 17.28 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.401 1.001 . . . . 0.0 114.045 -173.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -143.35 121.99 12.55 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.296 1.838 . . . . 0.0 109.071 169.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -70.25 -30.14 67.12 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.693 1.197 . . . . 0.0 113.864 -174.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 . . . . . 0 C--O 1.254 1.296 0 C-N-CA 126.874 2.07 . . . . 0.0 112.841 -178.021 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 111.652 -0.579 . . . . 0.0 111.652 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.5 p -84.9 -19.09 32.82 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -177.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 m 55.04 25.59 7.16 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.667 1.587 . . . . 0.0 114.33 -169.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.63 158.88 49.04 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 124.622 1.106 . . . . 0.0 113.882 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m 55.04 28.82 11.34 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.546 1.538 . . . . 0.0 114.889 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 t -89.39 144.26 26.2 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.77 1.228 . . . . 0.0 111.627 176.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.38 -65.9 1.99 Allowed Glycine 0 CA--C 1.53 0.998 0 C-N-CA 125.355 1.455 . . . . 0.0 113.83 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.4 mt -86.09 126.56 34.28 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.861 1.264 . . . . 0.0 109.991 178.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.5 mt -127.45 -23.63 3.46 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -171.176 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -124.1 144.99 49.55 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.126 1.37 . . . . 0.0 111.47 -174.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -135.04 148.1 49.81 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -171.477 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.1 t -87.24 134.35 33.55 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.39 1.876 . . . . 0.0 110.387 169.682 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.3 p-80 -94.27 1.05 56.0 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 177.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.8 mp -106.15 -43.99 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.686 1.195 . . . . 0.0 111.305 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.1 p -127.41 5.34 6.28 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -177.115 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 66.89 11.84 8.56 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 169.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -66.75 157.28 33.2 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.844 1.258 . . . . 0.0 112.387 169.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -138.8 153.36 48.38 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.504 1.122 . . . . 0.0 113.452 -175.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -141.78 160.14 40.79 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.81 1.244 . . . . 0.0 113.352 -169.522 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -80.11 -34.25 38.05 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.565 1.146 . . . . 0.0 114.013 -176.205 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -128.43 160.19 33.05 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.884 1.274 . . . . 0.0 111.249 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -61.26 -38.43 86.67 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.3 1.04 . . . . 0.0 110.736 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.7 tp -56.76 -52.69 64.04 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.977 1.311 . . . . 0.0 111.883 176.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -62.16 -31.91 72.46 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.603 1.161 . . . . 0.0 112.697 -176.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -76.81 -44.41 32.74 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.444 0.698 . . . . 0.0 111.361 172.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -62.9 -38.53 91.32 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.604 0.761 . . . . 0.0 112.346 -177.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.4 ptt85 -70.73 -23.71 62.49 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 172.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -74.01 -32.99 63.63 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 118.71 -0.662 . . . . 0.0 112.052 169.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 89.1 mmm -59.82 -22.17 61.86 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 120.912 1.687 . . . . 0.0 113.197 176.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.9 mt -58.0 -31.94 67.44 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.677 1.191 . . . . 0.0 112.612 173.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m -68.08 -21.73 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 119.15 0.887 . . . . 0.0 112.843 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -91.63 -4.58 55.08 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.999 1.719 . . . . 0.0 113.269 176.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.02 144.43 41.42 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.46 1.029 . . . . 0.0 113.258 174.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -103.25 -7.06 21.46 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.931 1.292 . . . . 0.0 113.82 -176.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -75.37 -18.91 59.84 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.314 1.446 . . . . 0.0 114.005 -174.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 41.4 m95 . . . . . 0 C--O 1.252 1.19 0 C-N-CA 125.386 1.474 . . . . 0.0 114.005 -172.488 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.555 0 N-CA-C 111.853 -0.499 . . . . 0.0 111.853 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 p 58.12 -178.03 0.07 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 127.017 2.127 . . . . 0.0 114.959 -173.654 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.7 t -145.97 145.1 30.52 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.987 1.315 . . . . 0.0 111.846 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.08 -15.5 62.98 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.185 0.898 . . . . 0.0 114.137 172.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 m -85.06 3.35 39.15 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.212 1.405 . . . . 0.0 113.898 175.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.6 t -63.41 148.87 47.33 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.6 1.16 . . . . 0.0 113.359 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.07 -7.91 77.55 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.093 1.33 . . . . 0.0 114.944 172.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.1 mt -95.83 127.04 41.52 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.874 1.27 . . . . 0.0 110.473 -172.82 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.1 mt -120.11 -24.04 6.13 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.663 1.185 . . . . 0.0 113.975 -170.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -124.04 143.72 50.26 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.137 1.375 . . . . 0.0 111.428 -174.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -132.25 147.07 52.39 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.417 1.087 . . . . 0.0 113.521 -173.327 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -82.04 132.1 35.25 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.408 1.883 . . . . 0.0 110.839 173.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -90.77 4.21 52.27 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 176.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.0 mm -105.31 -44.93 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.682 1.193 . . . . 0.0 111.755 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -130.48 4.67 4.7 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 -172.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 67.71 5.58 4.52 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 171.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -61.5 159.85 12.17 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.38 1.472 . . . . 0.0 112.366 170.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -141.2 152.99 45.06 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -168.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -142.91 158.92 43.15 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.527 1.131 . . . . 0.0 113.841 -168.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -77.43 -36.5 53.04 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.55 1.14 . . . . 0.0 113.348 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -119.32 157.99 27.01 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.132 1.373 . . . . 0.0 111.666 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -62.68 -40.22 96.41 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.236 174.404 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.9 tp -56.24 -52.45 64.4 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.17 1.388 . . . . 0.0 111.778 175.111 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -62.05 -32.15 72.63 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -176.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -76.17 -44.08 39.74 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.11 0.964 . . . . 0.0 111.258 172.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -62.66 -39.47 94.0 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.878 0.871 . . . . 0.0 111.995 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.5 ptt85 -71.07 -21.92 62.18 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 173.315 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -75.84 -34.52 60.08 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.706 0.802 . . . . 0.0 112.255 170.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 72.0 mmm -59.46 -22.18 61.16 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 120.924 1.693 . . . . 0.0 113.095 176.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.2 mt -59.15 -26.56 64.87 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.978 1.311 . . . . 0.0 113.416 173.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 m -72.42 -22.95 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-N 118.887 0.767 . . . . 0.0 112.501 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 60.1 m-70 -98.18 -28.56 13.66 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.694 1.597 . . . . 0.0 113.371 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.28 145.98 50.0 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.598 1.095 . . . . 0.0 114.656 -173.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -92.34 2.62 56.53 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.077 1.351 . . . . 0.0 113.918 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -76.94 -5.74 49.76 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -171.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 97.9 m95 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 125.42 1.488 . . . . 0.0 113.151 178.373 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 111.878 -0.489 . . . . 0.0 111.878 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 p -150.22 176.98 10.36 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.398 1.479 . . . . 0.0 112.045 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -61.85 -12.15 16.18 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.704 1.202 . . . . 0.0 114.124 173.089 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.84 3.68 34.45 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 125.486 1.517 . . . . 0.0 115.003 172.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -59.89 -22.37 62.29 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.136 1.374 . . . . 0.0 113.818 174.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.4 p -140.91 148.44 40.44 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.304 1.842 . . . . 0.0 110.76 169.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.46 171.15 54.89 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 115.883 1.113 . . . . 0.0 115.883 -170.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.8 mt -87.99 140.86 29.07 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.53 1.132 . . . . 0.0 109.566 169.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.3 mt -122.89 -23.73 4.96 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.9 1.28 . . . . 0.0 114.061 -170.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -122.28 147.96 45.6 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.292 1.437 . . . . 0.0 111.528 -174.037 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -137.26 144.43 42.71 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.696 1.199 . . . . 0.0 112.996 -169.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -89.17 120.95 31.01 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.981 1.713 . . . . 0.0 111.122 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -82.74 3.18 30.32 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 176.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.2 mm -102.48 -44.03 9.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.45 1.1 . . . . 0.0 111.769 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.2 p -134.78 6.31 3.43 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -170.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 67.52 14.61 9.64 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 169.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -70.9 156.02 40.1 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.612 1.165 . . . . 0.0 111.875 169.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -136.86 151.99 49.73 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -174.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -142.02 158.45 43.75 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.638 1.175 . . . . 0.0 113.063 -169.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -82.41 -39.67 22.32 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.567 1.147 . . . . 0.0 113.493 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -108.06 158.31 17.51 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.601 1.16 . . . . 0.0 112.005 174.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.1 -40.82 95.1 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.234 0.613 . . . . 0.0 110.162 174.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.7 tp -56.11 -50.47 70.98 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.961 1.304 . . . . 0.0 111.358 174.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -62.04 -29.81 70.54 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -78.97 -44.54 22.21 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.275 1.03 . . . . 0.0 111.558 171.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -62.43 -38.17 88.69 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.774 0.83 . . . . 0.0 112.297 -177.47 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.7 ptt85 -70.65 -23.37 62.51 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 172.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -75.54 -34.83 60.78 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.639 0.776 . . . . 0.0 112.096 170.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 78.8 mmm -59.2 -21.79 60.03 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 120.957 1.708 . . . . 0.0 113.286 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.9 mt -58.84 -29.35 66.85 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.674 1.189 . . . . 0.0 112.938 173.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m -70.51 -23.14 24.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 CA-C-N 118.808 0.731 . . . . 0.0 112.464 178.365 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -94.85 -40.49 9.7 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.503 1.521 . . . . 0.0 111.941 176.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.53 -95.66 0.68 Allowed Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.76 1.648 . . . . 0.0 113.382 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -85.91 44.87 1.16 Allowed 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -169.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -1.96 49.81 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.631 1.572 . . . . 0.0 114.972 173.485 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 . . . . . 0 C--O 1.253 1.247 0 C-N-CA 126.186 1.795 . . . . 0.0 113.621 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.506 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 m -66.86 155.87 37.21 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.675 1.19 . . . . 0.0 113.246 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 t -141.94 148.88 39.38 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.058 1.343 . . . . 0.0 111.758 177.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.23 159.3 8.81 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.224 1.392 . . . . 0.0 113.855 -172.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 m -141.03 129.42 22.43 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.569 1.148 . . . . 0.0 112.015 -176.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 m -71.93 -16.88 62.11 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.523 1.129 . . . . 0.0 113.742 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.55 -6.34 62.18 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.137 1.351 . . . . 0.0 115.214 174.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.3 mt -111.81 119.39 38.42 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.217 1.407 . . . . 0.0 109.62 -177.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mp -101.2 -19.4 15.73 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.032 1.333 . . . . 0.0 113.872 -169.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -126.31 149.75 48.95 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.392 1.477 . . . . 0.0 111.283 -171.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -135.21 144.2 46.8 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -172.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.84 130.26 35.01 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.077 1.751 . . . . 0.0 110.494 171.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -89.98 1.66 56.02 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 176.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.4 mm -100.74 -45.16 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.546 1.138 . . . . 0.0 111.378 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.9 p -129.55 10.24 5.62 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 -172.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 63.44 12.18 6.13 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 169.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -69.8 164.7 23.06 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.319 1.448 . . . . 0.0 111.969 169.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -140.36 155.03 46.92 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -176.5 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -140.38 159.85 41.29 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.216 1.406 . . . . 0.0 113.676 -169.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -73.61 -36.82 65.53 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.43 1.092 . . . . 0.0 113.497 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -124.72 159.41 30.93 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.05 1.34 . . . . 0.0 111.676 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -61.34 -38.98 88.89 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.314 173.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.89 -52.87 63.87 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.206 1.402 . . . . 0.0 112.049 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -59.23 -37.52 77.73 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.497 0.589 . . . . 0.0 112.255 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -71.68 -45.01 63.24 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.813 0.845 . . . . 0.0 111.338 174.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -61.35 -40.15 93.19 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.873 0.869 . . . . 0.0 112.35 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -73.51 -23.34 60.01 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 173.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -70.4 -32.9 70.73 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.714 0.688 . . . . 0.0 112.249 169.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.2 mmm -57.96 -24.84 59.71 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.887 1.676 . . . . 0.0 113.17 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.8 mt -60.13 -24.89 65.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.916 1.286 . . . . 0.0 113.543 175.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 m -71.5 -22.67 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 O-C-N 121.544 -0.723 . . . . 0.0 112.633 176.384 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -92.86 -18.04 23.32 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.581 1.552 . . . . 0.0 113.626 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.75 171.77 35.64 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.192 0.901 . . . . 0.0 114.279 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -111.3 7.4 21.04 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.56 1.544 . . . . 0.0 113.176 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -82.44 -5.93 58.98 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.671 1.588 . . . . 0.0 114.572 -172.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 61.7 m95 . . . . . 0 C--O 1.254 1.293 0 C-N-CA 126.123 1.769 . . . . 0.0 113.687 -175.092 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.58 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 p -82.56 -16.89 46.89 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -150.34 163.6 37.93 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.496 1.518 . . . . 0.0 111.826 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.28 -9.99 30.88 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.636 1.589 . . . . 0.0 115.958 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.5 p -69.09 -13.73 62.6 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.281 1.433 . . . . 0.0 114.545 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 p -79.57 -27.48 41.17 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.902 1.281 . . . . 0.0 112.984 169.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.51 -42.51 3.91 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 125.27 1.415 . . . . 0.0 113.781 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.3 mt -96.97 122.62 40.16 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.993 1.317 . . . . 0.0 110.21 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.6 mt -124.37 -24.71 4.22 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.988 1.315 . . . . 0.0 114.467 -168.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -118.36 141.83 48.14 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.104 1.362 . . . . 0.0 111.223 -174.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -128.88 143.41 50.89 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -171.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -79.12 129.49 34.51 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.856 1.662 . . . . 0.0 110.469 169.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -90.21 3.53 53.22 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 175.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.9 mm -103.41 -44.7 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.737 1.215 . . . . 0.0 111.343 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -133.25 11.54 4.18 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -172.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 64.53 6.72 3.29 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 169.379 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -63.7 153.04 37.45 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.036 1.334 . . . . 0.0 112.023 169.471 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -136.02 151.36 49.8 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.258 1.023 . . . . 0.0 112.76 -173.122 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -140.31 160.25 40.39 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.041 1.336 . . . . 0.0 113.867 -167.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -74.23 -37.41 63.83 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.318 1.047 . . . . 0.0 113.655 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -124.12 159.65 29.53 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.242 1.417 . . . . 0.0 111.493 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -62.04 -39.87 93.8 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.29 174.372 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.3 tp -56.97 -52.36 65.56 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.102 1.361 . . . . 0.0 111.884 174.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -62.34 -32.08 72.81 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -175.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -75.78 -44.17 42.81 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.161 0.984 . . . . 0.0 111.292 172.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -62.64 -39.24 93.23 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.827 0.851 . . . . 0.0 112.03 -178.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.8 ptt85 -70.81 -22.88 62.3 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 173.229 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -74.72 -35.19 62.68 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.559 0.744 . . . . 0.0 112.09 169.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.5 mmm -58.24 -22.64 53.02 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 121.021 1.737 . . . . 0.0 113.287 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.5 mt -58.96 -26.71 64.68 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.873 1.269 . . . . 0.0 113.468 173.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 m -71.31 -23.77 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 118.771 0.714 . . . . 0.0 112.4 176.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -95.51 -34.98 11.85 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.706 1.602 . . . . 0.0 112.331 176.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.2 -174.7 52.54 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.624 1.583 . . . . 0.0 115.406 174.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -119.83 28.3 8.2 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.329 1.852 . . . . 0.0 111.987 -177.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -72.19 -18.43 61.86 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 126.448 1.899 . . . . 0.0 115.013 -174.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.233 0 C-N-CA 128.103 2.561 . . . . 0.0 112.799 -178.427 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.0 p -62.28 -16.15 52.03 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.707 1.203 . . . . 0.0 114.059 175.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 p -60.28 -26.25 66.35 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.865 2.066 . . . . 0.0 114.116 169.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.01 5.34 58.1 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.917 1.246 . . . . 0.0 115.142 -174.574 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 t -155.74 150.32 26.07 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.121 1.369 . . . . 0.0 112.109 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.5 m -76.62 -13.67 60.04 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.524 1.129 . . . . 0.0 113.298 170.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.94 -175.91 40.98 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.655 1.121 . . . . 0.0 114.289 -175.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.0 mt -111.52 133.52 53.74 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.084 1.354 . . . . 0.0 109.913 173.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.4 mt -129.74 -25.18 2.62 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.21 1.404 . . . . 0.0 114.448 -169.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -121.81 146.43 47.08 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.039 1.336 . . . . 0.0 111.491 -174.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -131.77 144.05 50.66 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 -171.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.9 t -80.81 131.22 35.38 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.815 1.646 . . . . 0.0 110.194 169.439 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -91.71 4.88 51.72 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 176.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.8 mm -105.59 -43.6 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.778 1.231 . . . . 0.0 111.654 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p -133.19 6.31 3.87 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -171.558 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 67.59 7.95 6.0 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 116.018 1.858 . . . . 0.0 116.018 170.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -62.39 152.44 34.11 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.579 1.152 . . . . 0.0 111.856 169.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -135.95 151.2 49.69 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.328 1.051 . . . . 0.0 112.485 -173.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -138.76 162.54 34.45 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -166.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -76.12 -41.59 49.69 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.266 1.427 . . . . 0.0 112.936 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -129.3 161.74 29.54 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.076 1.351 . . . . 0.0 111.56 176.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.32 -38.03 85.38 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.667 1.187 . . . . 0.0 110.812 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.1 tp -57.54 -51.15 70.66 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.05 1.34 . . . . 0.0 111.973 176.061 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -63.02 -33.6 75.78 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.733 0.813 . . . . 0.0 112.204 -176.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -73.57 -44.86 56.33 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.215 1.006 . . . . 0.0 111.473 172.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -62.17 -40.33 95.67 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.683 0.793 . . . . 0.0 112.175 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -70.77 -21.66 62.48 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 173.216 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -74.72 -35.22 62.68 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.694 0.798 . . . . 0.0 111.842 169.493 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 79.3 mmm -58.54 -21.76 53.48 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 121.003 1.729 . . . . 0.0 113.369 175.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.4 mt -60.75 -23.54 65.03 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.158 1.383 . . . . 0.0 113.835 173.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 m -73.92 -21.69 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 123.451 0.7 . . . . 0.0 112.391 175.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -97.76 -50.17 4.55 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.859 1.664 . . . . 0.0 111.627 177.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 43.46 -121.55 3.42 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 126.558 2.028 . . . . 0.0 113.528 174.176 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -132.67 32.44 3.86 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.558 1.543 . . . . 0.0 110.087 167.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -109.18 26.0 11.14 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 128.155 2.582 . . . . 0.0 113.913 -168.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 11.5 m95 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 128.428 2.691 . . . . 0.0 114.35 -175.527 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.486 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.6 p -68.37 -42.67 78.8 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 117.745 0.772 . . . . 0.0 110.998 169.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 m 54.39 22.2 3.66 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 127.565 2.346 . . . . 0.0 116.759 168.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.39 -164.83 40.74 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.815 1.197 . . . . 0.0 114.861 177.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 m 52.8 33.17 13.61 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.796 1.638 . . . . 0.0 115.058 177.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 t -146.95 -66.71 0.27 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.702 1.201 . . . . 0.0 112.477 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.08 -0.3 79.75 Favored Glycine 0 CA--C 1.532 1.108 0 N-CA-C 115.277 0.871 . . . . 0.0 115.277 -172.272 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.5 mt -107.74 126.23 52.36 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.409 1.104 . . . . 0.0 110.771 -173.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.8 mt -105.95 -23.72 12.6 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.215 1.406 . . . . 0.0 114.018 -172.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -122.99 145.8 48.18 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.132 1.373 . . . . 0.0 111.781 -173.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -133.24 145.33 50.44 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.523 1.129 . . . . 0.0 113.454 -174.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -82.52 125.87 31.62 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.751 1.62 . . . . 0.0 110.385 171.374 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -86.42 5.83 33.15 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.7 mm -105.3 -43.23 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.67 1.188 . . . . 0.0 111.702 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -134.49 5.91 3.49 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -171.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 68.16 10.62 7.94 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 115.996 1.85 . . . . 0.0 115.996 170.041 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -65.92 157.64 30.14 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.652 1.181 . . . . 0.0 111.931 169.132 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -138.59 152.63 48.32 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -174.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -141.78 159.67 41.75 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.759 1.224 . . . . 0.0 113.666 -168.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -77.53 -35.21 53.54 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.313 1.045 . . . . 0.0 113.773 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -129.41 160.64 32.47 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.843 1.257 . . . . 0.0 111.262 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -61.29 -38.76 87.94 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.273 1.029 . . . . 0.0 110.711 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.3 tp -56.47 -52.52 64.39 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.163 1.385 . . . . 0.0 111.855 176.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -61.97 -32.36 72.8 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.675 1.19 . . . . 0.0 112.81 -177.069 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -76.7 -43.54 37.2 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.852 0.861 . . . . 0.0 111.419 173.072 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -63.7 -40.4 96.71 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.848 0.859 . . . . 0.0 111.997 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -70.28 -24.85 63.11 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 173.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -72.9 -36.34 67.28 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.305 0.642 . . . . 0.0 111.728 169.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.1 mtp -59.79 -20.83 59.15 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 120.573 1.533 . . . . 0.0 113.564 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.7 mt -58.92 -30.21 67.66 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.701 1.2 . . . . 0.0 113.095 172.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 m -68.26 -22.45 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 CA-C-N 119.156 0.889 . . . . 0.0 112.629 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -91.16 -3.5 56.98 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.922 1.689 . . . . 0.0 113.378 176.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.94 28.41 0.52 Allowed Glycine 0 CA--C 1.539 1.579 0 C-N-CA 126.636 2.065 . . . . 0.0 115.976 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -79.34 37.21 0.32 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 127.024 2.129 . . . . 0.0 113.228 -176.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -83.32 -15.27 50.74 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.38 1.872 . . . . 0.0 113.99 -173.514 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 63.4 p-90 . . . . . 0 C--O 1.255 1.355 0 C-N-CA 126.765 2.026 . . . . 0.0 113.753 -176.926 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.524 0 N-CA-C 112.131 -0.388 . . . . 0.0 112.131 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p -147.11 171.29 15.55 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.422 1.489 . . . . 0.0 112.253 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 p -73.14 -16.39 61.45 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 177.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.43 -165.0 47.55 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.936 1.255 . . . . 0.0 115.037 177.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -151.52 166.36 31.38 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.817 1.647 . . . . 0.0 111.07 176.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 t -68.41 133.21 48.33 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.742 0.817 . . . . 0.0 112.352 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.57 1.16 88.35 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.603 1.097 . . . . 0.0 114.434 170.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.2 mt -129.21 117.41 20.7 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.142 1.777 . . . . 0.0 108.357 -177.699 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.5 mt -81.74 -25.08 35.69 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.786 1.773 . . . . 0.0 115.786 -168.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -119.73 146.14 45.91 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.869 1.268 . . . . 0.0 111.32 -171.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -135.45 148.37 49.24 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -169.66 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.7 t -86.3 126.82 34.59 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.53 1.532 . . . . 0.0 110.171 169.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -86.28 -1.35 57.41 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 176.105 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 mp -102.85 -43.54 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.766 1.227 . . . . 0.0 111.574 -174.617 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -125.71 6.17 7.46 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 67.07 14.08 9.69 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 169.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.4 mtt-85 -71.09 163.82 26.83 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.853 1.261 . . . . 0.0 112.105 170.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -136.98 153.18 50.75 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.692 1.197 . . . . 0.0 113.165 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -137.65 153.46 49.85 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 125.485 1.514 . . . . 0.0 112.283 -172.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -74.24 -39.33 63.13 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.697 0.799 . . . . 0.0 112.736 -176.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -124.42 160.62 27.78 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.057 1.343 . . . . 0.0 111.496 178.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -65.18 -33.34 75.78 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.607 0.763 . . . . 0.0 111.681 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.1 tp -59.23 -49.4 77.99 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.413 1.085 . . . . 0.0 111.519 174.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.38 -35.32 78.81 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.61 1.164 . . . . 0.0 112.54 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -44.39 62.63 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.585 0.754 . . . . 0.0 111.612 172.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -61.25 -44.17 97.68 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.449 0.7 . . . . 0.0 111.747 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -69.4 -23.77 63.76 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -74.08 -37.45 64.19 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.779 -0.629 . . . . 0.0 112.186 168.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.3 mtp -61.22 -20.22 62.55 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.878 1.672 . . . . 0.0 113.35 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.5 mt -57.13 -29.69 63.78 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.788 1.235 . . . . 0.0 113.036 171.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 m -70.46 -20.43 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 118.99 0.814 . . . . 0.0 112.718 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -101.88 -5.94 24.14 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.44 1.896 . . . . 0.0 113.747 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.16 107.94 2.33 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 124.438 1.018 . . . . 0.0 113.246 -175.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -86.95 -33.39 19.68 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.3 1.04 . . . . 0.0 113.295 -178.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -129.47 -5.83 4.74 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.761 1.624 . . . . 0.0 114.398 -174.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.5 m95 . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.395 1.878 . . . . 0.0 112.262 -169.997 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 111.935 -0.466 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -68.9 153.86 43.05 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.614 1.166 . . . . 0.0 113.199 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 m -66.58 152.48 45.2 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.629 1.172 . . . . 0.0 112.813 176.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.34 -145.93 43.34 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 123.972 0.796 . . . . 0.0 113.206 -177.509 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.4 m -131.91 142.93 49.8 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.109 1.364 . . . . 0.0 111.881 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.3 m -73.3 153.22 40.65 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.473 1.109 . . . . 0.0 112.551 177.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.86 96.29 0.85 Allowed Glycine 0 N--CA 1.468 0.778 0 C-N-CA 123.943 0.782 . . . . 0.0 112.056 174.557 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.0 mt -127.65 130.1 48.35 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.692 1.597 . . . . 0.0 109.237 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.2 mt -116.77 -24.89 7.51 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -168.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -121.57 141.98 50.55 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.961 1.304 . . . . 0.0 111.344 -173.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -127.22 144.67 50.99 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -172.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -81.03 130.17 34.89 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.922 1.689 . . . . 0.0 110.269 169.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -92.1 5.71 49.25 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.2 mm -105.87 -43.74 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.661 1.184 . . . . 0.0 111.425 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -130.49 10.98 5.28 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 -174.752 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 63.64 12.96 6.96 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 169.327 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -70.42 162.92 27.77 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.154 1.382 . . . . 0.0 112.271 169.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -140.13 150.75 44.64 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.72 1.208 . . . . 0.0 113.439 -174.329 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -138.73 159.33 42.37 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.702 1.601 . . . . 0.0 113.681 -168.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -73.2 -37.96 66.27 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.168 0.987 . . . . 0.0 113.29 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -124.06 158.95 31.0 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.256 1.422 . . . . 0.0 111.688 -175.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.58 -40.13 95.89 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.12 174.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.82 -51.51 69.29 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.279 1.432 . . . . 0.0 111.852 175.456 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -63.98 -33.03 74.81 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -176.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -71.68 -45.14 62.81 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.023 0.529 . . . . 0.0 111.073 170.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -62.35 -40.31 95.99 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.648 0.779 . . . . 0.0 112.801 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -69.79 -23.04 63.29 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 173.168 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -75.0 -34.69 61.98 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.451 0.701 . . . . 0.0 112.158 169.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.9 mmm -58.81 -22.36 58.33 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 121.063 1.756 . . . . 0.0 113.131 175.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.0 mt -59.01 -27.59 65.58 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.73 1.212 . . . . 0.0 113.183 174.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.02 -24.39 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 118.77 0.714 . . . . 0.0 112.274 176.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -95.46 -26.52 15.81 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.979 1.712 . . . . 0.0 112.81 176.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.15 -13.46 35.23 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.552 1.549 . . . . 0.0 116.383 -172.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.56 -26.25 63.46 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 118.547 1.173 . . . . 0.0 112.915 170.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -117.11 -26.99 6.63 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.742 1.617 . . . . 0.0 114.181 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 91.1 m95 . . . . . 0 C--O 1.252 1.205 0 C-N-CA 125.776 1.631 . . . . 0.0 112.658 -173.988 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 111.931 -0.467 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 t -72.66 145.63 47.11 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.014 0.926 . . . . 0.0 112.652 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.9 p -73.83 -14.73 61.14 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.632 1.173 . . . . 0.0 113.33 170.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.02 3.2 58.27 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.302 1.43 . . . . 0.0 115.248 177.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p -68.7 -30.23 68.84 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.935 1.367 . . . . 0.0 114.236 -176.741 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.1 p -115.57 -18.82 10.82 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.433 1.493 . . . . 0.0 114.413 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.73 176.86 54.09 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.733 1.159 . . . . 0.0 114.559 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.5 mt -119.26 132.51 55.92 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.555 1.542 . . . . 0.0 109.148 169.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -110.46 -28.88 8.33 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.686 1.194 . . . . 0.0 113.645 -168.237 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -120.24 144.72 47.6 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.785 1.234 . . . . 0.0 111.628 -172.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -129.15 141.99 51.01 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.285 1.034 . . . . 0.0 113.31 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -83.79 120.65 26.3 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.85 1.66 . . . . 0.0 109.945 169.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -80.29 3.38 21.14 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.7 mm -99.01 -41.02 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.625 1.17 . . . . 0.0 111.755 -178.679 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.7 p -134.15 1.13 3.2 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.498 1.519 . . . . 0.0 114.772 -170.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 69.04 8.41 6.82 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 175.266 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -65.85 154.28 39.63 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.283 -0.886 . . . . 0.0 111.496 169.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -137.07 150.94 48.37 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.551 1.14 . . . . 0.0 113.139 -170.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -139.87 162.38 35.31 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.895 1.278 . . . . 0.0 114.302 -167.47 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -43.17 45.12 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.617 1.167 . . . . 0.0 112.726 -176.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -125.4 161.33 27.29 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.425 1.49 . . . . 0.0 111.225 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -62.22 -38.39 89.01 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.092 0.957 . . . . 0.0 110.769 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.5 tp -56.75 -50.91 70.84 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.225 1.41 . . . . 0.0 111.982 176.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -61.28 -36.75 80.93 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.695 1.198 . . . . 0.0 112.652 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -72.48 -44.29 62.49 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.62 0.768 . . . . 0.0 111.114 174.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -62.86 -41.35 99.34 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.989 0.916 . . . . 0.0 112.245 -178.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -71.28 -23.91 62.06 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 174.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -73.08 -36.19 66.78 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 118.869 -0.586 . . . . 0.0 111.733 168.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.5 mtp -59.26 -21.08 59.06 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 120.889 1.677 . . . . 0.0 113.557 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.72 -29.0 66.35 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.702 1.201 . . . . 0.0 113.17 172.141 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 m -68.68 -21.21 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 CA-C-N 119.152 0.887 . . . . 0.0 112.654 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -101.5 6.59 42.39 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.64 1.976 . . . . 0.0 112.994 174.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.49 -172.67 7.43 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.884 1.707 . . . . 0.0 116.17 -172.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -77.42 40.53 0.29 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.92 2.088 . . . . 0.0 114.651 -169.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -65.01 -30.52 71.52 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.334 1.853 . . . . 0.0 113.417 -179.295 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.6 m95 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 125.936 1.695 . . . . 0.0 112.612 -172.224 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.536 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -82.27 -9.73 59.38 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 -174.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 m -65.32 144.26 57.23 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.852 1.261 . . . . 0.0 113.281 -176.478 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.62 177.91 44.11 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.849 1.214 . . . . 0.0 113.258 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.4 m -79.57 -15.28 57.95 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -83.65 161.01 21.23 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.659 1.583 . . . . 0.0 113.38 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.33 173.71 46.46 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.526 1.06 . . . . 0.0 113.576 178.497 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 78.4 mt -91.1 133.36 35.4 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.326 1.05 . . . . 0.0 110.028 174.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.1 mt -129.42 -24.61 2.77 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.961 1.304 . . . . 0.0 114.421 -169.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -120.72 143.07 48.96 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.08 1.352 . . . . 0.0 111.259 -174.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -129.94 142.68 50.61 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -171.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.7 t -77.78 132.49 38.1 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.999 1.719 . . . . 0.0 110.929 169.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -92.12 3.58 55.0 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 175.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.1 mm -103.54 -43.42 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.679 1.191 . . . . 0.0 111.717 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -134.36 5.17 3.47 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -171.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 67.73 8.62 6.52 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.983 1.846 . . . . 0.0 115.983 170.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -62.76 152.45 35.76 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.484 1.113 . . . . 0.0 111.7 169.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -135.46 150.87 49.94 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.181 0.992 . . . . 0.0 112.866 -172.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -139.68 160.14 40.56 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.056 1.342 . . . . 0.0 113.952 -167.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -76.15 -35.26 59.27 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.639 1.176 . . . . 0.0 113.783 -176.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -131.81 161.29 33.27 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.046 1.339 . . . . 0.0 111.098 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.4 -38.3 86.57 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.192 0.997 . . . . 0.0 110.883 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.8 tp -56.99 -52.67 64.34 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.111 1.364 . . . . 0.0 111.91 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -61.86 -32.28 72.62 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.634 1.174 . . . . 0.0 112.794 -177.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -76.05 -44.07 40.85 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.788 0.835 . . . . 0.0 111.493 172.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -62.62 -39.58 94.25 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.752 0.821 . . . . 0.0 111.956 -178.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.1 ptt85 -72.4 -23.8 61.15 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 172.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -70.15 -33.49 71.85 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.964 0.802 . . . . 0.0 112.243 169.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 70.1 mmm -58.91 -21.94 58.66 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 120.856 1.662 . . . . 0.0 113.321 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.8 mt -61.65 -26.34 67.95 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.915 1.286 . . . . 0.0 113.405 174.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m -70.5 -25.07 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 118.856 0.753 . . . . 0.0 112.178 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -89.51 -43.04 11.1 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.333 1.453 . . . . 0.0 111.39 175.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.36 -129.11 36.32 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.997 1.284 . . . . 0.0 114.124 169.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -92.71 20.12 6.78 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.45 1.5 . . . . 0.0 113.241 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.6 tptt 67.24 -29.95 0.15 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 130.598 3.559 . . . . 0.0 117.527 177.245 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 61.7 p-90 . . . . . 0 C--O 1.253 1.278 0 CA-C-N 119.898 1.226 . . . . 0.0 113.26 171.816 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -65.72 -23.36 66.74 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.848 0.859 . . . . 0.0 112.844 172.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.1 p -134.98 167.39 21.02 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 127.108 2.163 . . . . 0.0 111.033 169.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.72 156.51 13.96 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.927 1.251 . . . . 0.0 114.542 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.4 p -102.42 -5.57 23.95 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.643 1.577 . . . . 0.0 114.712 -175.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -147.24 169.59 19.06 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.647 1.579 . . . . 0.0 111.809 -177.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.07 -177.15 42.12 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 124.841 1.21 . . . . 0.0 114.2 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.2 mt -78.37 129.74 35.33 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.408 1.083 . . . . 0.0 109.659 176.375 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.1 mt -94.72 -27.42 15.84 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 -168.388 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -121.11 151.99 39.23 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.756 1.222 . . . . 0.0 111.952 -173.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -136.94 144.95 43.68 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.135 0.974 . . . . 0.0 113.557 -174.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -82.13 127.83 33.52 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.87 1.668 . . . . 0.0 109.724 169.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -90.97 9.55 30.17 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.7 mm -108.21 -41.8 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.791 1.237 . . . . 0.0 111.409 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.5 p -133.86 12.6 4.0 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 -174.448 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 64.06 9.7 4.85 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 169.453 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -66.76 157.34 33.08 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.121 1.369 . . . . 0.0 112.417 169.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -134.52 152.16 51.6 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.721 1.208 . . . . 0.0 112.553 -176.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -140.55 159.88 41.23 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.677 1.191 . . . . 0.0 113.969 -169.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -77.46 -42.13 37.05 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.567 1.147 . . . . 0.0 113.4 -175.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -124.55 160.6 28.0 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.732 1.213 . . . . 0.0 111.931 174.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.45 -38.94 89.03 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.784 1.234 . . . . 0.0 110.594 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 tp -55.97 -50.55 70.5 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.035 1.334 . . . . 0.0 111.671 175.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -63.58 -33.57 75.89 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.061 0.846 . . . . 0.0 112.493 -175.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -74.24 -43.65 56.17 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.375 1.07 . . . . 0.0 111.525 173.089 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -63.49 -41.67 98.56 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.709 0.804 . . . . 0.0 112.048 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -69.39 -23.22 63.69 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 173.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -74.53 -35.92 63.16 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.646 0.778 . . . . 0.0 112.089 169.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.3 mtp -60.37 -20.3 58.95 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 120.933 1.697 . . . . 0.0 113.529 177.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.1 mt -58.81 -30.88 67.95 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.614 1.166 . . . . 0.0 112.821 171.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 m -68.91 -23.31 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 119.229 0.922 . . . . 0.0 112.675 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -90.98 -4.08 56.75 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.674 1.589 . . . . 0.0 113.056 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.27 6.75 59.84 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.263 1.411 . . . . 0.0 115.142 177.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -79.91 43.44 0.6 Allowed 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.244 1.522 . . . . 0.0 112.855 178.508 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -93.55 -4.28 51.25 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.834 2.054 . . . . 0.0 115.084 -174.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 33.1 p-90 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 126.797 2.039 . . . . 0.0 112.966 -173.592 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.686 -0.566 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t 63.1 153.8 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.969 2.107 . . . . 0.0 115.398 -172.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.6 m -82.69 -10.97 58.68 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.982 1.313 . . . . 0.0 112.932 170.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.3 -15.51 1.13 Allowed Glycine 0 CA--C 1.536 1.388 0 C-N-CA 124.859 1.218 . . . . 0.0 115.45 175.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -76.81 145.03 38.72 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.793 1.296 . . . . 0.0 112.109 177.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 p -77.41 138.7 39.44 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.585 1.154 . . . . 0.0 112.896 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.64 173.2 50.98 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.665 1.126 . . . . 0.0 114.59 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.8 mt -82.83 137.0 34.46 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.272 1.029 . . . . 0.0 109.544 169.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.7 mt -126.32 -23.88 3.76 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -170.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -122.82 143.54 49.78 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.241 1.417 . . . . 0.0 111.415 -175.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -131.56 144.59 51.21 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.458 1.103 . . . . 0.0 113.38 -174.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.3 t -79.46 126.32 30.7 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.566 1.546 . . . . 0.0 110.505 172.195 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -86.11 4.27 39.01 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.8 mm -104.11 -45.56 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.575 1.15 . . . . 0.0 111.457 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 p -133.01 11.29 4.26 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 -171.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 65.27 3.47 2.27 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 169.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -60.35 154.93 19.07 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.112 1.765 . . . . 0.0 112.373 169.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -139.16 151.27 46.49 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -169.36 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -142.54 159.25 42.61 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.829 1.252 . . . . 0.0 113.443 -168.281 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -80.25 -32.6 38.29 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -178.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -126.99 158.34 37.16 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.21 1.004 . . . . 0.0 111.283 177.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.01 -38.21 85.27 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.177 0.991 . . . . 0.0 110.643 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.0 tp -56.4 -52.65 63.84 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.103 1.361 . . . . 0.0 111.889 176.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -61.59 -32.54 72.65 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.605 1.162 . . . . 0.0 112.846 -177.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -77.18 -43.2 34.66 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.88 0.872 . . . . 0.0 111.513 173.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -63.66 -40.42 96.8 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.832 0.853 . . . . 0.0 111.951 -178.313 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.3 ptt85 -70.57 -25.13 62.94 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 173.753 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -72.2 -36.34 69.17 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.333 0.653 . . . . 0.0 111.768 169.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.1 mtp -59.92 -20.84 59.67 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.225 -1.547 . . . . 0.0 113.489 177.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.4 mt -59.92 -30.79 69.28 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.598 1.159 . . . . 0.0 112.997 172.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 m -66.3 -25.19 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 119.089 0.858 . . . . 0.0 112.349 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -84.31 -10.34 57.7 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.07 1.348 . . . . 0.0 113.136 178.312 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.75 -9.47 82.88 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.767 1.175 . . . . 0.0 114.266 170.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -81.41 33.97 0.37 Allowed 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.126 1.77 . . . . 0.0 113.937 -172.747 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -79.31 -17.88 53.72 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.576 1.551 . . . . 0.0 114.149 -175.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 62.8 p-90 . . . . . 0 C--O 1.253 1.285 0 C-N-CA 126.454 1.902 . . . . 0.0 113.759 -177.0 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.537 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -82.25 -8.73 59.65 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -176.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -66.21 -26.53 67.43 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -174.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.25 172.85 25.91 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 124.66 1.124 . . . . 0.0 114.093 177.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 m -90.06 8.0 34.85 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.36 1.464 . . . . 0.0 114.027 -178.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.3 m -67.42 160.81 26.66 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.914 1.686 . . . . 0.0 113.925 -175.633 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.59 173.4 44.38 Favored Glycine 0 N--CA 1.47 0.941 0 C-N-CA 124.925 1.25 . . . . 0.0 114.89 178.425 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.8 mt -119.74 137.56 53.86 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.851 1.66 . . . . 0.0 109.495 174.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.2 mt -112.7 -25.14 9.24 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -169.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -124.14 145.07 49.53 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.841 1.256 . . . . 0.0 111.802 -174.298 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -132.66 145.7 51.28 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.474 1.11 . . . . 0.0 113.748 -173.314 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -81.22 131.35 35.29 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.377 1.871 . . . . 0.0 110.835 173.081 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -89.99 2.46 55.11 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 176.33 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.0 mm -102.69 -46.22 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.526 1.13 . . . . 0.0 111.375 177.145 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.6 p -130.36 9.59 5.18 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 115.691 1.738 . . . . 0.0 115.691 -172.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 64.78 4.37 2.37 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 170.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -62.19 159.74 14.25 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.723 1.609 . . . . 0.0 112.172 170.389 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -141.43 152.52 44.35 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -168.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -141.92 159.29 42.52 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.654 1.181 . . . . 0.0 113.986 -168.364 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -78.69 -34.25 46.29 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.501 1.121 . . . . 0.0 113.916 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -128.88 159.12 36.79 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.295 1.038 . . . . 0.0 111.207 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.2 -38.57 87.04 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.05 0.94 . . . . 0.0 110.679 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.3 tp -56.9 -51.0 70.82 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.335 1.454 . . . . 0.0 111.923 176.497 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -62.89 -35.49 80.18 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.345 1.058 . . . . 0.0 112.795 -177.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -72.77 -44.53 61.48 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.158 0.583 . . . . 0.0 111.106 172.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -61.9 -40.4 95.32 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.726 0.81 . . . . 0.0 112.409 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -72.85 -23.21 60.72 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 173.352 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -70.53 -35.01 72.92 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 118.683 0.674 . . . . 0.0 112.137 169.379 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 75.0 mmm -58.23 -23.18 54.97 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.859 1.663 . . . . 0.0 113.462 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.2 mt -60.44 -27.63 67.65 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.837 1.255 . . . . 0.0 113.236 174.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m -69.09 -22.25 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 119.048 0.84 . . . . 0.0 112.676 178.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -92.58 -13.0 30.3 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.702 1.601 . . . . 0.0 113.371 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.18 153.09 44.52 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 124.542 1.068 . . . . 0.0 113.297 174.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -94.76 -49.1 5.76 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.616 1.166 . . . . 0.0 113.275 -178.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -113.42 -24.68 9.17 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.603 1.961 . . . . 0.0 113.712 -177.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 55.4 m95 . . . . . 0 C--O 1.251 1.151 0 C-N-CA 125.746 1.618 . . . . 0.0 112.77 -169.979 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.6 mt . . . . . 0 CA--C 1.539 0.531 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -120.52 146.14 46.59 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.892 1.277 . . . . 0.0 111.627 -174.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -132.01 141.78 49.37 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -171.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.7 t -76.58 131.77 39.11 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.627 1.571 . . . . 0.0 110.751 169.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -90.64 3.62 53.67 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.9 mm -103.91 -44.45 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.586 1.154 . . . . 0.0 111.747 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.8 p -132.19 2.94 3.96 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -171.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 68.49 7.71 6.19 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.59 150.21 47.35 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.103 -0.998 . . . . 0.0 110.844 169.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -127.37 157.88 38.76 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.217 1.007 . . . . 0.0 112.697 -173.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -143.45 160.85 39.83 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.961 1.304 . . . . 0.0 114.08 -168.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -77.54 -36.49 52.24 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.651 1.18 . . . . 0.0 113.449 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -120.74 158.9 26.51 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.917 1.287 . . . . 0.0 111.624 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -61.69 -39.47 91.56 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.286 172.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.0 tp -58.35 -50.87 72.09 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.349 1.46 . . . . 0.0 112.164 176.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -58.81 -37.28 76.04 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -75.15 -43.55 51.88 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.582 1.153 . . . . 0.0 111.405 175.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -61.78 -41.17 97.37 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.998 0.919 . . . . 0.0 112.394 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.5 ptt-85 -73.03 -23.39 60.59 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 173.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -68.7 -33.61 74.25 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.813 0.733 . . . . 0.0 111.975 169.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 74.3 mmm -59.11 -22.3 60.63 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.613 1.551 . . . . 0.0 113.364 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.2 mt -61.57 -28.57 69.43 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.478 1.111 . . . . 0.0 113.052 174.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.481 1.095 0 CA-C-N 119.023 0.829 . . . . 0.0 112.026 177.12 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -124.64 145.37 49.68 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.727 1.211 . . . . 0.0 111.337 -173.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -132.37 144.04 50.25 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -171.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.5 t -79.29 132.42 36.46 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.002 1.721 . . . . 0.0 110.953 171.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -92.55 3.6 55.2 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.7 mm -103.29 -43.17 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.64 1.176 . . . . 0.0 111.789 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.3 p -132.02 5.49 4.2 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -172.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 66.46 12.89 8.99 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 115.56 1.689 . . . . 0.0 115.56 170.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -68.41 162.73 24.78 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.607 1.163 . . . . 0.0 111.938 169.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -139.44 150.35 45.12 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.478 1.111 . . . . 0.0 113.587 -173.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -136.92 160.87 37.61 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.472 1.509 . . . . 0.0 113.505 -169.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -79.3 -38.6 34.9 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.4 1.08 . . . . 0.0 113.476 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -126.36 161.52 27.66 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.166 1.386 . . . . 0.0 111.591 177.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.83 -36.58 83.66 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.613 1.165 . . . . 0.0 111.342 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.4 tp -59.9 -48.64 80.87 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.837 1.655 . . . . 0.0 111.989 176.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.77 -36.4 82.96 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.377 1.071 . . . . 0.0 112.385 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -71.02 -43.52 67.74 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.151 0.58 . . . . 0.0 111.242 172.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.16 -44.23 97.64 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.049 0.84 . . . . 0.0 112.114 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -71.01 -23.59 62.21 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 177.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -69.18 -36.22 77.12 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 118.578 -0.725 . . . . 0.0 112.388 169.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 63.9 mmm -58.76 -22.06 57.09 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.928 1.695 . . . . 0.0 113.454 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.9 mt -59.71 -30.3 68.7 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.326 1.051 . . . . 0.0 112.731 173.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.48 1.068 0 CA-C-N 119.126 0.875 . . . . 0.0 112.493 177.421 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.3 mt . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -120.25 141.69 49.73 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.282 1.433 . . . . 0.0 111.104 -174.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -128.28 144.26 51.11 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -171.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -79.4 132.89 36.53 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.156 1.782 . . . . 0.0 110.848 170.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -92.48 2.96 56.38 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.7 mm -102.68 -44.16 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.49 1.116 . . . . 0.0 111.69 177.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -132.96 5.5 3.88 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -170.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 67.32 11.98 8.68 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 169.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -65.77 156.04 34.35 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.733 1.213 . . . . 0.0 112.049 169.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -134.73 150.23 50.56 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.305 1.042 . . . . 0.0 112.895 -175.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -139.28 159.01 43.17 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.412 1.485 . . . . 0.0 113.578 -168.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -74.76 -35.83 62.57 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.22 1.008 . . . . 0.0 113.66 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -123.17 158.99 29.55 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.0 1.32 . . . . 0.0 111.682 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.7 -39.14 90.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.654 0.782 . . . . 0.0 110.28 173.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.2 tp -58.52 -53.04 62.84 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.284 1.433 . . . . 0.0 111.931 176.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -59.06 -37.11 76.27 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.651 0.66 . . . . 0.0 112.496 -177.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -72.26 -44.97 62.03 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.001 0.92 . . . . 0.0 111.335 174.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.7 -38.97 89.82 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.892 0.877 . . . . 0.0 112.189 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -73.19 -25.05 60.62 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 172.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -69.07 -34.82 75.75 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.945 0.793 . . . . 0.0 112.206 169.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 75.0 mmm -58.35 -23.35 56.52 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.783 1.629 . . . . 0.0 113.571 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.67 -28.97 67.73 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.668 1.187 . . . . 0.0 113.159 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.482 1.129 0 CA-C-N 118.88 0.764 . . . . 0.0 112.702 -179.859 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.2 mt . . . . . 0 N--CA 1.471 0.593 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -121.75 140.57 52.16 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.818 1.247 . . . . 0.0 111.314 -173.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -129.9 145.94 51.61 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 -172.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.4 t -83.46 125.05 31.32 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.01 1.724 . . . . 0.0 109.799 169.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -84.31 -0.15 51.37 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.8 mp -103.32 -43.72 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.791 1.236 . . . . 0.0 111.497 -174.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.5 p -128.75 6.65 5.6 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 67.44 12.55 8.96 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 169.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -68.16 156.42 37.56 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.686 1.194 . . . . 0.0 112.399 169.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -136.07 150.21 49.06 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.622 1.169 . . . . 0.0 112.752 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -139.09 160.51 39.61 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.255 1.422 . . . . 0.0 113.388 -168.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -74.53 -39.11 62.55 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.388 1.075 . . . . 0.0 113.253 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -122.71 160.25 26.26 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.541 1.537 . . . . 0.0 111.66 -177.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.73 -40.55 97.56 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.326 0.651 . . . . 0.0 110.286 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.5 tp -56.41 -51.96 66.41 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.109 1.364 . . . . 0.0 111.815 175.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -62.79 -31.41 72.37 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -176.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -76.58 -43.9 36.85 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.024 0.93 . . . . 0.0 111.253 172.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -63.28 -39.47 94.68 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.848 0.859 . . . . 0.0 112.145 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.0 ptt85 -69.39 -23.51 63.74 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 173.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -76.43 -33.17 58.8 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.639 0.776 . . . . 0.0 111.729 169.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 44.8 mtp -61.57 -19.99 62.79 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 121.138 1.79 . . . . 0.0 113.373 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.8 mt -58.95 -24.54 62.64 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.017 1.327 . . . . 0.0 113.53 171.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.48 1.048 0 O-C-N 121.652 -0.655 . . . . 0.0 112.677 176.396 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.7 mt . . . . . 0 N--CA 1.471 0.586 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -119.42 143.56 47.41 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.025 1.33 . . . . 0.0 111.552 -173.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -130.54 143.78 50.98 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -171.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.1 t -80.49 131.43 35.56 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.99 1.716 . . . . 0.0 110.475 169.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 -91.9 3.82 54.32 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 176.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.7 mm -103.65 -43.27 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.664 1.186 . . . . 0.0 111.661 178.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -133.94 5.88 3.63 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -171.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 67.79 7.66 5.88 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 170.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -62.55 153.01 33.22 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.588 1.155 . . . . 0.0 111.743 169.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -135.5 152.3 51.2 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.307 1.043 . . . . 0.0 112.633 -173.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -142.46 161.36 38.24 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.865 1.266 . . . . 0.0 113.903 -167.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -79.64 -43.64 22.43 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.764 1.225 . . . . 0.0 113.259 -175.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -110.03 160.49 16.39 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.656 1.182 . . . . 0.0 111.946 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.13 -40.04 94.6 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.367 0.667 . . . . 0.0 110.299 171.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.1 tp -57.73 -50.19 74.03 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.17 1.388 . . . . 0.0 112.012 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -57.4 -35.83 70.53 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -78.22 -43.82 27.33 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.544 1.138 . . . . 0.0 111.727 175.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -61.2 -40.0 92.3 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.023 0.929 . . . . 0.0 112.451 -177.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.1 ptt-85 -72.91 -23.7 60.74 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -69.65 -34.37 73.92 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.862 0.755 . . . . 0.0 112.08 169.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.3 mmm -59.16 -22.11 60.44 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.775 1.625 . . . . 0.0 113.395 176.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.6 mt -61.55 -25.69 67.46 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.648 1.179 . . . . 0.0 113.358 174.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.481 1.11 0 CA-C-N 118.77 0.714 . . . . 0.0 112.3 175.904 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 CA--C 1.541 0.607 0 N-CA-C 113.929 1.085 . . . . 0.0 113.929 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -123.96 143.94 50.1 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.247 1.419 . . . . 0.0 111.391 -174.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -134.11 147.54 50.86 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 -172.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.3 t -83.52 137.48 33.85 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.702 2.001 . . . . 0.0 110.516 170.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -95.13 1.83 54.96 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 177.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.0 mp -108.93 -44.47 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.638 1.175 . . . . 0.0 111.402 -175.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.3 p -124.39 4.74 8.38 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 67.74 4.58 3.99 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.967 1.839 . . . . 0.0 115.967 170.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -62.24 159.17 15.49 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.577 1.551 . . . . 0.0 112.458 172.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -140.97 153.14 45.46 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -168.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -143.01 158.79 43.27 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 114.789 -1.096 . . . . 0.0 113.63 -169.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -77.62 -36.81 51.34 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.417 1.087 . . . . 0.0 113.498 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -118.35 158.02 26.02 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.086 1.354 . . . . 0.0 111.624 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -63.02 -39.73 95.64 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.213 174.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.5 tp -56.54 -52.4 64.94 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.067 1.347 . . . . 0.0 111.785 174.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -62.34 -32.01 72.72 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -175.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -75.75 -44.68 40.45 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.951 0.9 . . . . 0.0 111.191 172.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -62.46 -38.52 90.13 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.691 0.797 . . . . 0.0 112.393 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.0 ptt85 -70.13 -22.09 63.03 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 172.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -78.13 -33.08 50.66 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.003 0.921 . . . . 0.0 112.107 169.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 81.8 mmm -60.25 -21.07 61.42 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.859 1.663 . . . . 0.0 113.149 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.9 mt -58.16 -29.53 65.67 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.69 1.196 . . . . 0.0 112.832 173.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.48 1.05 0 CA-C-N 118.832 0.742 . . . . 0.0 112.733 178.091 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.5 mt . . . . . 0 CA--C 1.54 0.586 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -124.1 144.99 49.55 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.126 1.37 . . . . 0.0 111.47 -174.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -135.04 148.1 49.81 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -171.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.1 t -87.24 134.35 33.55 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.39 1.876 . . . . 0.0 110.387 169.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 29.1 p80 -94.27 1.05 56.0 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 177.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.8 mp -106.15 -43.99 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.686 1.195 . . . . 0.0 111.305 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.1 p -127.41 5.34 6.28 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -177.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 66.89 11.84 8.56 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 169.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -66.75 157.28 33.2 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.844 1.258 . . . . 0.0 112.387 169.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -138.8 153.36 48.38 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.504 1.122 . . . . 0.0 113.452 -175.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -141.78 160.14 40.79 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.81 1.244 . . . . 0.0 113.352 -169.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -80.11 -34.25 38.05 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.565 1.146 . . . . 0.0 114.013 -176.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -128.43 160.19 33.05 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.884 1.274 . . . . 0.0 111.249 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -61.26 -38.43 86.67 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.3 1.04 . . . . 0.0 110.736 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.7 tp -56.76 -52.69 64.04 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.977 1.311 . . . . 0.0 111.883 176.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -62.16 -31.91 72.46 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.603 1.161 . . . . 0.0 112.697 -176.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -76.81 -44.41 32.74 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.444 0.698 . . . . 0.0 111.361 172.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -62.9 -38.53 91.32 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.604 0.761 . . . . 0.0 112.346 -177.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.4 ptt85 -70.73 -23.71 62.49 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 172.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -74.01 -32.99 63.63 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 118.71 -0.662 . . . . 0.0 112.052 169.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 89.1 mmm -59.82 -22.17 61.86 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 120.912 1.687 . . . . 0.0 113.197 176.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.9 mt -58.0 -31.94 67.44 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.677 1.191 . . . . 0.0 112.612 173.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.482 1.14 0 CA-C-N 119.15 0.887 . . . . 0.0 112.843 -179.09 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 CA--C 1.541 0.61 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -124.04 143.72 50.26 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.137 1.375 . . . . 0.0 111.428 -174.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -132.25 147.07 52.39 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.417 1.087 . . . . 0.0 113.521 -173.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -82.04 132.1 35.25 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.408 1.883 . . . . 0.0 110.839 173.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -90.77 4.21 52.27 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 176.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.0 mm -105.31 -44.93 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.682 1.193 . . . . 0.0 111.755 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -130.48 4.67 4.7 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 -172.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 67.71 5.58 4.52 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 171.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -61.5 159.85 12.17 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.38 1.472 . . . . 0.0 112.366 170.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -141.2 152.99 45.06 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -168.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -142.91 158.92 43.15 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.527 1.131 . . . . 0.0 113.841 -168.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -77.43 -36.5 53.04 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.55 1.14 . . . . 0.0 113.348 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -119.32 157.99 27.01 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.132 1.373 . . . . 0.0 111.666 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -62.68 -40.22 96.41 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.236 174.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.9 tp -56.24 -52.45 64.4 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.17 1.388 . . . . 0.0 111.778 175.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -62.05 -32.15 72.63 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -176.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -76.17 -44.08 39.74 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.11 0.964 . . . . 0.0 111.258 172.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -62.66 -39.47 94.0 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.878 0.871 . . . . 0.0 111.995 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.5 ptt85 -71.07 -21.92 62.18 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 173.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -75.84 -34.52 60.08 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.706 0.802 . . . . 0.0 112.255 170.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 72.0 mmm -59.46 -22.18 61.16 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 120.924 1.693 . . . . 0.0 113.095 176.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.2 mt -59.15 -26.56 64.87 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.978 1.311 . . . . 0.0 113.416 173.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.479 1.01 0 CA-C-N 118.887 0.767 . . . . 0.0 112.501 177.126 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.3 mt . . . . . 0 CA--C 1.54 0.561 0 N-CA-C 114.061 1.134 . . . . 0.0 114.061 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -122.28 147.96 45.6 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.292 1.437 . . . . 0.0 111.528 -174.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -137.26 144.43 42.71 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.696 1.199 . . . . 0.0 112.996 -169.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -89.17 120.95 31.01 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.981 1.713 . . . . 0.0 111.122 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -82.74 3.18 30.32 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 176.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.2 mm -102.48 -44.03 9.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.45 1.1 . . . . 0.0 111.769 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.2 p -134.78 6.31 3.43 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -170.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 67.52 14.61 9.64 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 169.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -70.9 156.02 40.1 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.612 1.165 . . . . 0.0 111.875 169.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -136.86 151.99 49.73 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -174.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -142.02 158.45 43.75 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.638 1.175 . . . . 0.0 113.063 -169.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -82.41 -39.67 22.32 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.567 1.147 . . . . 0.0 113.493 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -108.06 158.31 17.51 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.601 1.16 . . . . 0.0 112.005 174.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.1 -40.82 95.1 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.234 0.613 . . . . 0.0 110.162 174.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.7 tp -56.11 -50.47 70.98 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.961 1.304 . . . . 0.0 111.358 174.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -62.04 -29.81 70.54 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -78.97 -44.54 22.21 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.275 1.03 . . . . 0.0 111.558 171.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -62.43 -38.17 88.69 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.774 0.83 . . . . 0.0 112.297 -177.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.7 ptt85 -70.65 -23.37 62.51 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 172.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -75.54 -34.83 60.78 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.639 0.776 . . . . 0.0 112.096 170.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 78.8 mmm -59.2 -21.79 60.03 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 120.957 1.708 . . . . 0.0 113.286 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.9 mt -58.84 -29.35 66.85 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.674 1.189 . . . . 0.0 112.938 173.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.481 1.088 0 CA-C-N 118.808 0.731 . . . . 0.0 112.464 178.365 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mp . . . . . 0 N--CA 1.47 0.561 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -126.31 149.75 48.95 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.392 1.477 . . . . 0.0 111.283 -171.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -135.21 144.2 46.8 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -172.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.84 130.26 35.01 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.077 1.751 . . . . 0.0 110.494 171.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -89.98 1.66 56.02 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 176.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.4 mm -100.74 -45.16 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.546 1.138 . . . . 0.0 111.378 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.9 p -129.55 10.24 5.62 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 -172.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 63.44 12.18 6.13 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 169.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -69.8 164.7 23.06 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.319 1.448 . . . . 0.0 111.969 169.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -140.36 155.03 46.92 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -176.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -140.38 159.85 41.29 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.216 1.406 . . . . 0.0 113.676 -169.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -73.61 -36.82 65.53 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.43 1.092 . . . . 0.0 113.497 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -124.72 159.41 30.93 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.05 1.34 . . . . 0.0 111.676 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -61.34 -38.98 88.89 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.314 173.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.89 -52.87 63.87 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.206 1.402 . . . . 0.0 112.049 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -59.23 -37.52 77.73 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.497 0.589 . . . . 0.0 112.255 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -71.68 -45.01 63.24 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.813 0.845 . . . . 0.0 111.338 174.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -61.35 -40.15 93.19 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.873 0.869 . . . . 0.0 112.35 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -73.51 -23.34 60.01 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 173.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -70.4 -32.9 70.73 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.714 0.688 . . . . 0.0 112.249 169.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.2 mmm -57.96 -24.84 59.71 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.887 1.676 . . . . 0.0 113.17 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.8 mt -60.13 -24.89 65.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.916 1.286 . . . . 0.0 113.543 175.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.481 1.081 0 O-C-N 121.544 -0.723 . . . . 0.0 112.633 176.384 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.6 mt . . . . . 0 CA--C 1.54 0.578 0 N-CA-C 114.467 1.284 . . . . 0.0 114.467 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -118.36 141.83 48.14 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.104 1.362 . . . . 0.0 111.223 -174.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -128.88 143.41 50.89 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -171.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -79.12 129.49 34.51 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.856 1.662 . . . . 0.0 110.469 169.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -90.21 3.53 53.22 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 175.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.9 mm -103.41 -44.7 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.737 1.215 . . . . 0.0 111.343 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -133.25 11.54 4.18 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -172.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 64.53 6.72 3.29 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 169.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -63.7 153.04 37.45 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.036 1.334 . . . . 0.0 112.023 169.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -136.02 151.36 49.8 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.258 1.023 . . . . 0.0 112.76 -173.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -140.31 160.25 40.39 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.041 1.336 . . . . 0.0 113.867 -167.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -74.23 -37.41 63.83 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.318 1.047 . . . . 0.0 113.655 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -124.12 159.65 29.53 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.242 1.417 . . . . 0.0 111.493 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -62.04 -39.87 93.8 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.29 174.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.3 tp -56.97 -52.36 65.56 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.102 1.361 . . . . 0.0 111.884 174.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -62.34 -32.08 72.81 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -175.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -75.78 -44.17 42.81 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.161 0.984 . . . . 0.0 111.292 172.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -62.64 -39.24 93.23 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.827 0.851 . . . . 0.0 112.03 -178.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.8 ptt85 -70.81 -22.88 62.3 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 173.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -74.72 -35.19 62.68 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.559 0.744 . . . . 0.0 112.09 169.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.5 mmm -58.24 -22.64 53.02 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 121.021 1.737 . . . . 0.0 113.287 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.5 mt -58.96 -26.71 64.68 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.873 1.269 . . . . 0.0 113.468 173.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.481 1.076 0 CA-C-N 118.771 0.714 . . . . 0.0 112.4 176.919 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.4 mt . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 114.448 1.277 . . . . 0.0 114.448 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -121.81 146.43 47.08 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.039 1.336 . . . . 0.0 111.491 -174.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -131.77 144.05 50.66 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 -171.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.9 t -80.81 131.22 35.38 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.815 1.646 . . . . 0.0 110.194 169.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -91.71 4.88 51.72 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 176.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.8 mm -105.59 -43.6 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.778 1.231 . . . . 0.0 111.654 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p -133.19 6.31 3.87 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -171.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 67.59 7.95 6.0 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 116.018 1.858 . . . . 0.0 116.018 170.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -62.39 152.44 34.11 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.579 1.152 . . . . 0.0 111.856 169.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -135.95 151.2 49.69 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.328 1.051 . . . . 0.0 112.485 -173.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -138.76 162.54 34.45 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -166.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -76.12 -41.59 49.69 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.266 1.427 . . . . 0.0 112.936 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -129.3 161.74 29.54 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.076 1.351 . . . . 0.0 111.56 176.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.32 -38.03 85.38 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.667 1.187 . . . . 0.0 110.812 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.1 tp -57.54 -51.15 70.66 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.05 1.34 . . . . 0.0 111.973 176.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -63.02 -33.6 75.78 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.733 0.813 . . . . 0.0 112.204 -176.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -73.57 -44.86 56.33 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.215 1.006 . . . . 0.0 111.473 172.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -62.17 -40.33 95.67 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.683 0.793 . . . . 0.0 112.175 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -70.77 -21.66 62.48 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 173.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -74.72 -35.22 62.68 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.694 0.798 . . . . 0.0 111.842 169.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 79.3 mmm -58.54 -21.76 53.48 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 121.003 1.729 . . . . 0.0 113.369 175.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.4 mt -60.75 -23.54 65.03 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.158 1.383 . . . . 0.0 113.835 173.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.479 1.002 0 C-N-CA 123.451 0.7 . . . . 0.0 112.391 175.532 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.8 mt . . . . . 0 CA--C 1.539 0.526 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -122.99 145.8 48.18 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.132 1.373 . . . . 0.0 111.781 -173.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -133.24 145.33 50.44 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.523 1.129 . . . . 0.0 113.454 -174.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -82.52 125.87 31.62 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.751 1.62 . . . . 0.0 110.385 171.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -86.42 5.83 33.15 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.7 mm -105.3 -43.23 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.67 1.188 . . . . 0.0 111.702 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -134.49 5.91 3.49 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -171.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 68.16 10.62 7.94 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 115.996 1.85 . . . . 0.0 115.996 170.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -65.92 157.64 30.14 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.652 1.181 . . . . 0.0 111.931 169.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -138.59 152.63 48.32 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -174.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -141.78 159.67 41.75 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.759 1.224 . . . . 0.0 113.666 -168.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -77.53 -35.21 53.54 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.313 1.045 . . . . 0.0 113.773 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -129.41 160.64 32.47 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.843 1.257 . . . . 0.0 111.262 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -61.29 -38.76 87.94 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.273 1.029 . . . . 0.0 110.711 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.3 tp -56.47 -52.52 64.39 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.163 1.385 . . . . 0.0 111.855 176.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -61.97 -32.36 72.8 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.675 1.19 . . . . 0.0 112.81 -177.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -76.7 -43.54 37.2 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.852 0.861 . . . . 0.0 111.419 173.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -63.7 -40.4 96.71 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.848 0.859 . . . . 0.0 111.997 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -70.28 -24.85 63.11 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 173.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -72.9 -36.34 67.28 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.305 0.642 . . . . 0.0 111.728 169.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.1 mtp -59.79 -20.83 59.15 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 120.573 1.533 . . . . 0.0 113.564 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.7 mt -58.92 -30.21 67.66 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.701 1.2 . . . . 0.0 113.095 172.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.482 1.16 0 CA-C-N 119.156 0.889 . . . . 0.0 112.629 -179.941 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.5 mt . . . . . 0 CA--C 1.543 0.679 0 N-CA-C 115.786 1.773 . . . . 0.0 115.786 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -119.73 146.14 45.91 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.869 1.268 . . . . 0.0 111.32 -171.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -135.45 148.37 49.24 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -169.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.7 t -86.3 126.82 34.59 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.53 1.532 . . . . 0.0 110.171 169.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -86.28 -1.35 57.41 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 176.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 mp -102.85 -43.54 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.766 1.227 . . . . 0.0 111.574 -174.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -125.71 6.17 7.46 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 67.07 14.08 9.69 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 169.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.4 mtt-85 -71.09 163.82 26.83 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.853 1.261 . . . . 0.0 112.105 170.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -136.98 153.18 50.75 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.692 1.197 . . . . 0.0 113.165 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -137.65 153.46 49.85 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 125.485 1.514 . . . . 0.0 112.283 -172.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -74.24 -39.33 63.13 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.697 0.799 . . . . 0.0 112.736 -176.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -124.42 160.62 27.78 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.057 1.343 . . . . 0.0 111.496 178.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -65.18 -33.34 75.78 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.607 0.763 . . . . 0.0 111.681 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.1 tp -59.23 -49.4 77.99 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.413 1.085 . . . . 0.0 111.519 174.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.38 -35.32 78.81 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.61 1.164 . . . . 0.0 112.54 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -44.39 62.63 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.585 0.754 . . . . 0.0 111.612 172.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -61.25 -44.17 97.68 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.449 0.7 . . . . 0.0 111.747 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -69.4 -23.77 63.76 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -74.08 -37.45 64.19 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.779 -0.629 . . . . 0.0 112.186 168.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.3 mtp -61.22 -20.22 62.55 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.878 1.672 . . . . 0.0 113.35 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.5 mt -57.13 -29.69 63.78 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.788 1.235 . . . . 0.0 113.036 171.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.481 1.089 0 CA-C-N 118.99 0.814 . . . . 0.0 112.718 178.936 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.2 mt . . . . . 0 CA--C 1.54 0.574 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -121.57 141.98 50.55 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.961 1.304 . . . . 0.0 111.344 -173.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -127.22 144.67 50.99 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -172.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -81.03 130.17 34.89 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.922 1.689 . . . . 0.0 110.269 169.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -92.1 5.71 49.25 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.2 mm -105.87 -43.74 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.661 1.184 . . . . 0.0 111.425 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -130.49 10.98 5.28 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 -174.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 63.64 12.96 6.96 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 169.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -70.42 162.92 27.77 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.154 1.382 . . . . 0.0 112.271 169.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -140.13 150.75 44.64 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.72 1.208 . . . . 0.0 113.439 -174.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -138.73 159.33 42.37 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.702 1.601 . . . . 0.0 113.681 -168.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -73.2 -37.96 66.27 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.168 0.987 . . . . 0.0 113.29 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -124.06 158.95 31.0 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.256 1.422 . . . . 0.0 111.688 -175.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.58 -40.13 95.89 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.12 174.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.82 -51.51 69.29 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.279 1.432 . . . . 0.0 111.852 175.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -63.98 -33.03 74.81 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -176.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -71.68 -45.14 62.81 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.023 0.529 . . . . 0.0 111.073 170.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -62.35 -40.31 95.99 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.648 0.779 . . . . 0.0 112.801 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -69.79 -23.04 63.29 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 173.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -75.0 -34.69 61.98 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.451 0.701 . . . . 0.0 112.158 169.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.9 mmm -58.81 -22.36 58.33 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 121.063 1.756 . . . . 0.0 113.131 175.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.0 mt -59.01 -27.59 65.58 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.73 1.212 . . . . 0.0 113.183 174.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.48 1.036 0 CA-C-N 118.77 0.714 . . . . 0.0 112.274 176.882 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 CA--C 1.538 0.518 0 N-CA-C 113.645 0.98 . . . . 0.0 113.645 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -120.24 144.72 47.6 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.785 1.234 . . . . 0.0 111.628 -172.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -129.15 141.99 51.01 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.285 1.034 . . . . 0.0 113.31 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -83.79 120.65 26.3 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.85 1.66 . . . . 0.0 109.945 169.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -80.29 3.38 21.14 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.7 mm -99.01 -41.02 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.625 1.17 . . . . 0.0 111.755 -178.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.7 p -134.15 1.13 3.2 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.498 1.519 . . . . 0.0 114.772 -170.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 69.04 8.41 6.82 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 175.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -65.85 154.28 39.63 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.283 -0.886 . . . . 0.0 111.496 169.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -137.07 150.94 48.37 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.551 1.14 . . . . 0.0 113.139 -170.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -139.87 162.38 35.31 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.895 1.278 . . . . 0.0 114.302 -167.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -43.17 45.12 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.617 1.167 . . . . 0.0 112.726 -176.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -125.4 161.33 27.29 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.425 1.49 . . . . 0.0 111.225 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -62.22 -38.39 89.01 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.092 0.957 . . . . 0.0 110.769 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.5 tp -56.75 -50.91 70.84 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.225 1.41 . . . . 0.0 111.982 176.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -61.28 -36.75 80.93 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.695 1.198 . . . . 0.0 112.652 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -72.48 -44.29 62.49 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.62 0.768 . . . . 0.0 111.114 174.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -62.86 -41.35 99.34 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.989 0.916 . . . . 0.0 112.245 -178.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -71.28 -23.91 62.06 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 174.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -73.08 -36.19 66.78 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 118.869 -0.586 . . . . 0.0 111.733 168.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.5 mtp -59.26 -21.08 59.06 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 120.889 1.677 . . . . 0.0 113.557 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.72 -29.0 66.35 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.702 1.201 . . . . 0.0 113.17 172.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 m . . . . . 0 N--CA 1.482 1.16 0 CA-C-N 119.152 0.887 . . . . 0.0 112.654 178.026 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 CA--C 1.541 0.609 0 N-CA-C 114.421 1.267 . . . . 0.0 114.421 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -120.72 143.07 48.96 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.08 1.352 . . . . 0.0 111.259 -174.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -129.94 142.68 50.61 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -171.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.7 t -77.78 132.49 38.1 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.999 1.719 . . . . 0.0 110.929 169.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -92.12 3.58 55.0 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 175.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.1 mm -103.54 -43.42 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.679 1.191 . . . . 0.0 111.717 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -134.36 5.17 3.47 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -171.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 67.73 8.62 6.52 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.983 1.846 . . . . 0.0 115.983 170.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -62.76 152.45 35.76 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.484 1.113 . . . . 0.0 111.7 169.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -135.46 150.87 49.94 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.181 0.992 . . . . 0.0 112.866 -172.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -139.68 160.14 40.56 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.056 1.342 . . . . 0.0 113.952 -167.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -76.15 -35.26 59.27 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.639 1.176 . . . . 0.0 113.783 -176.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -131.81 161.29 33.27 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.046 1.339 . . . . 0.0 111.098 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.4 -38.3 86.57 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.192 0.997 . . . . 0.0 110.883 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.8 tp -56.99 -52.67 64.34 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.111 1.364 . . . . 0.0 111.91 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -61.86 -32.28 72.62 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.634 1.174 . . . . 0.0 112.794 -177.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -76.05 -44.07 40.85 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.788 0.835 . . . . 0.0 111.493 172.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -62.62 -39.58 94.25 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.752 0.821 . . . . 0.0 111.956 -178.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.1 ptt85 -72.4 -23.8 61.15 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 172.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -70.15 -33.49 71.85 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.964 0.802 . . . . 0.0 112.243 169.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 70.1 mmm -58.91 -21.94 58.66 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 120.856 1.662 . . . . 0.0 113.321 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.8 mt -61.65 -26.34 67.95 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.915 1.286 . . . . 0.0 113.405 174.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.481 1.089 0 CA-C-N 118.856 0.753 . . . . 0.0 112.178 176.603 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.1 mt . . . . . 0 CA--C 1.54 0.576 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -121.11 151.99 39.23 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.756 1.222 . . . . 0.0 111.952 -173.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -136.94 144.95 43.68 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.135 0.974 . . . . 0.0 113.557 -174.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -82.13 127.83 33.52 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.87 1.668 . . . . 0.0 109.724 169.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -90.97 9.55 30.17 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.7 mm -108.21 -41.8 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.791 1.237 . . . . 0.0 111.409 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.5 p -133.86 12.6 4.0 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 -174.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 64.06 9.7 4.85 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 169.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -66.76 157.34 33.08 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.121 1.369 . . . . 0.0 112.417 169.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -134.52 152.16 51.6 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.721 1.208 . . . . 0.0 112.553 -176.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -140.55 159.88 41.23 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.677 1.191 . . . . 0.0 113.969 -169.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -77.46 -42.13 37.05 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.567 1.147 . . . . 0.0 113.4 -175.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -124.55 160.6 28.0 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.732 1.213 . . . . 0.0 111.931 174.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.45 -38.94 89.03 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.784 1.234 . . . . 0.0 110.594 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 tp -55.97 -50.55 70.5 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.035 1.334 . . . . 0.0 111.671 175.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -63.58 -33.57 75.89 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.061 0.846 . . . . 0.0 112.493 -175.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -74.24 -43.65 56.17 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.375 1.07 . . . . 0.0 111.525 173.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -63.49 -41.67 98.56 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.709 0.804 . . . . 0.0 112.048 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -69.39 -23.22 63.69 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 173.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -74.53 -35.92 63.16 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.646 0.778 . . . . 0.0 112.089 169.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.3 mtp -60.37 -20.3 58.95 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 120.933 1.697 . . . . 0.0 113.529 177.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.1 mt -58.81 -30.88 67.95 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.614 1.166 . . . . 0.0 112.821 171.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.482 1.149 0 CA-C-N 119.229 0.922 . . . . 0.0 112.675 179.597 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.7 mt . . . . . 0 CA--C 1.54 0.587 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -122.82 143.54 49.78 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.241 1.417 . . . . 0.0 111.415 -175.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -131.56 144.59 51.21 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.458 1.103 . . . . 0.0 113.38 -174.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.3 t -79.46 126.32 30.7 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.566 1.546 . . . . 0.0 110.505 172.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -86.11 4.27 39.01 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.8 mm -104.11 -45.56 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.575 1.15 . . . . 0.0 111.457 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 p -133.01 11.29 4.26 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 -171.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 65.27 3.47 2.27 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 169.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -60.35 154.93 19.07 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.112 1.765 . . . . 0.0 112.373 169.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -139.16 151.27 46.49 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -169.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -142.54 159.25 42.61 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.829 1.252 . . . . 0.0 113.443 -168.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -80.25 -32.6 38.29 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -178.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -126.99 158.34 37.16 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.21 1.004 . . . . 0.0 111.283 177.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.01 -38.21 85.27 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.177 0.991 . . . . 0.0 110.643 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.0 tp -56.4 -52.65 63.84 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.103 1.361 . . . . 0.0 111.889 176.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -61.59 -32.54 72.65 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.605 1.162 . . . . 0.0 112.846 -177.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -77.18 -43.2 34.66 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.88 0.872 . . . . 0.0 111.513 173.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -63.66 -40.42 96.8 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.832 0.853 . . . . 0.0 111.951 -178.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.3 ptt85 -70.57 -25.13 62.94 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 173.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -72.2 -36.34 69.17 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.333 0.653 . . . . 0.0 111.768 169.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.1 mtp -59.92 -20.84 59.67 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.225 -1.547 . . . . 0.0 113.489 177.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.4 mt -59.92 -30.79 69.28 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.598 1.159 . . . . 0.0 112.997 172.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.482 1.129 0 CA-C-N 119.089 0.858 . . . . 0.0 112.349 -179.547 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.2 mt . . . . . 0 CA--C 1.54 0.57 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -124.14 145.07 49.53 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.841 1.256 . . . . 0.0 111.802 -174.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -132.66 145.7 51.28 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.474 1.11 . . . . 0.0 113.748 -173.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -81.22 131.35 35.29 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.377 1.871 . . . . 0.0 110.835 173.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -89.99 2.46 55.11 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 176.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.0 mm -102.69 -46.22 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.526 1.13 . . . . 0.0 111.375 177.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.6 p -130.36 9.59 5.18 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 115.691 1.738 . . . . 0.0 115.691 -172.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 64.78 4.37 2.37 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 170.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -62.19 159.74 14.25 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.723 1.609 . . . . 0.0 112.172 170.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -141.43 152.52 44.35 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -168.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -141.92 159.29 42.52 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.654 1.181 . . . . 0.0 113.986 -168.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -78.69 -34.25 46.29 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.501 1.121 . . . . 0.0 113.916 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -128.88 159.12 36.79 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.295 1.038 . . . . 0.0 111.207 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.2 -38.57 87.04 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.05 0.94 . . . . 0.0 110.679 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.3 tp -56.9 -51.0 70.82 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.335 1.454 . . . . 0.0 111.923 176.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -62.89 -35.49 80.18 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.345 1.058 . . . . 0.0 112.795 -177.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -72.77 -44.53 61.48 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.158 0.583 . . . . 0.0 111.106 172.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -61.9 -40.4 95.32 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.726 0.81 . . . . 0.0 112.409 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -72.85 -23.21 60.72 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 173.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -70.53 -35.01 72.92 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 118.683 0.674 . . . . 0.0 112.137 169.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 75.0 mmm -58.23 -23.18 54.97 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.859 1.663 . . . . 0.0 113.462 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.2 mt -60.44 -27.63 67.65 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.837 1.255 . . . . 0.0 113.236 174.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m . . . . . 0 N--CA 1.482 1.143 0 CA-C-N 119.048 0.84 . . . . 0.0 112.676 178.097 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.515 0 N-CA-C 111.062 -0.815 . . . . 0.0 111.062 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -138.09 155.1 49.11 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 125.202 1.401 . . . . 0.0 112.108 -175.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 t -148.07 153.65 39.18 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.15 1.38 . . . . 0.0 111.647 176.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -75.58 157.08 48.91 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.573 1.083 . . . . 0.0 114.301 -179.06 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 m -76.16 -14.79 60.16 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 124.562 1.145 . . . . 0.0 113.98 179.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.6 p -148.68 168.21 23.46 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 126.53 1.932 . . . . 0.0 111.604 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.22 172.73 42.92 Favored Glycine 0 CA--C 1.529 0.931 0 C-N-CA 123.882 0.754 . . . . 0.0 114.552 -179.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 73.4 mt -82.09 134.07 35.31 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 124.468 1.107 . . . . 0.0 109.589 173.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.6 mt -102.42 -28.01 12.47 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 115.031 1.493 . . . . 0.0 115.031 -168.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.1 m-85 -120.52 146.14 46.59 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 124.892 1.277 . . . . 0.0 111.627 -174.128 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -132.01 141.78 49.37 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 113.843 1.053 . . . . 0.0 113.843 -171.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.7 t -76.58 131.77 39.11 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 125.627 1.571 . . . . 0.0 110.751 169.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -90.64 3.62 53.67 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.9 mm -103.91 -44.45 9.18 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 124.586 1.154 . . . . 0.0 111.747 177.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.8 p -132.19 2.94 3.96 Favored 'General case' 0 CA--C 1.543 0.674 0 N-CA-C 115.104 1.52 . . . . 0.0 115.104 -171.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 68.49 7.71 6.19 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 170.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.59 150.21 47.35 Favored 'General case' 0 N--CA 1.473 0.718 0 O-C-N 121.103 -0.998 . . . . 0.0 110.844 169.488 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.1 mtmm -127.37 157.88 38.76 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 124.217 1.007 . . . . 0.0 112.697 -173.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -143.45 160.85 39.83 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 124.961 1.304 . . . . 0.0 114.08 -168.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.1 mtpt -77.54 -36.49 52.24 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.651 1.18 . . . . 0.0 113.449 -179.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -120.74 158.9 26.51 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 124.917 1.287 . . . . 0.0 111.624 179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -61.69 -39.47 91.56 Favored 'General case' 0 CA--C 1.534 0.349 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.286 172.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 56.0 tp -58.35 -50.87 72.09 Favored 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 125.349 1.46 . . . . 0.0 112.164 176.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 74.6 m-20 -58.81 -37.28 76.04 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 112.598 0.592 . . . . 0.0 112.598 -178.495 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -75.15 -43.55 51.88 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 124.582 1.153 . . . . 0.0 111.405 175.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -61.78 -41.17 97.37 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.998 0.919 . . . . 0.0 112.394 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.5 ptt-85 -73.03 -23.39 60.59 Favored 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.872 1.064 . . . . 0.0 113.872 173.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 48.4 t60 -68.7 -33.61 74.25 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 118.813 0.733 . . . . 0.0 111.975 169.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 74.3 mmm -59.11 -22.3 60.63 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-N 120.613 1.551 . . . . 0.0 113.364 176.531 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 74.2 mt -61.57 -28.57 69.43 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.478 1.111 . . . . 0.0 113.052 174.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m -67.34 -25.55 33.85 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.095 0 CA-C-N 119.023 0.829 . . . . 0.0 112.026 177.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 50.1 m-70 -90.92 -39.54 12.22 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.482 1.513 . . . . 0.0 111.491 174.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.12 -18.92 60.94 Favored Glycine 0 CA--C 1.538 1.496 0 C-N-CA 125.035 1.302 . . . . 0.0 114.634 176.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -61.51 -23.82 66.18 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.968 1.307 . . . . 0.0 113.35 171.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.7 tptp -84.42 59.75 5.61 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 125.411 1.485 . . . . 0.0 111.289 174.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.5 p-90 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 125.147 1.379 . . . . 0.0 113.358 177.624 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.531 -0.628 . . . . 0.0 111.531 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m 52.45 32.86 12.01 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 125.842 1.657 . . . . 0.0 115.333 174.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 52.8 m -134.55 152.86 52.07 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.694 1.598 . . . . 0.0 112.199 -173.478 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.04 -160.92 54.12 Favored Glycine 0 CA--C 1.539 1.565 0 C-N-CA 124.324 0.964 . . . . 0.0 114.269 -179.282 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 87.0 p -144.75 170.04 16.87 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 125.716 1.606 . . . . 0.0 112.095 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.5 p -76.15 -9.97 59.04 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.97 1.47 . . . . 0.0 114.97 -178.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 160.71 147.57 4.98 Favored Glycine 0 N--CA 1.469 0.89 0 C-N-CA 124.053 0.835 . . . . 0.0 114.864 170.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 98.1 mt -136.27 136.03 39.49 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 126.606 1.963 . . . . 0.0 108.845 171.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.0 mt -131.5 -25.33 2.16 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.962 1.467 . . . . 0.0 114.962 -169.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -124.64 145.37 49.68 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.727 1.211 . . . . 0.0 111.337 -173.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -132.37 144.04 50.25 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 114.2 1.185 . . . . 0.0 114.2 -171.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.5 t -79.29 132.42 36.46 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 126.002 1.721 . . . . 0.0 110.953 171.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.3 p-80 -92.55 3.6 55.2 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 113.749 1.018 . . . . 0.0 113.749 175.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.7 mm -103.29 -43.17 8.7 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 124.64 1.176 . . . . 0.0 111.789 178.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.3 p -132.02 5.49 4.2 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 114.935 1.457 . . . . 0.0 114.935 -172.298 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 66.46 12.89 8.99 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 115.56 1.689 . . . . 0.0 115.56 170.528 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -68.41 162.73 24.78 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.607 1.163 . . . . 0.0 111.938 169.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.8 mtmt -139.44 150.35 45.12 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.478 1.111 . . . . 0.0 113.587 -173.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.8 m-85 -136.92 160.87 37.61 Favored 'General case' 0 C--O 1.237 0.444 0 C-N-CA 125.472 1.509 . . . . 0.0 113.505 -169.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 32.6 mtpt -79.3 -38.6 34.9 Favored 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 124.4 1.08 . . . . 0.0 113.476 -176.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -126.36 161.52 27.66 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.166 1.386 . . . . 0.0 111.591 177.423 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -62.83 -36.58 83.66 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 124.613 1.165 . . . . 0.0 111.342 -177.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.4 tp -59.9 -48.64 80.87 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.837 1.655 . . . . 0.0 111.989 176.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -62.77 -36.4 82.96 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.377 1.071 . . . . 0.0 112.385 -179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 4.2 tmm_? -71.02 -43.52 67.74 Favored 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 123.151 0.58 . . . . 0.0 111.242 172.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -61.16 -44.23 97.64 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 119.049 0.84 . . . . 0.0 112.114 179.418 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.8 ptt180 -71.01 -23.59 62.21 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 113.688 0.996 . . . . 0.0 113.688 177.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 70.0 t60 -69.18 -36.22 77.12 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 118.578 -0.725 . . . . 0.0 112.388 169.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 63.9 mmm -58.76 -22.06 57.09 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-N 120.928 1.695 . . . . 0.0 113.454 178.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.9 mt -59.71 -30.3 68.7 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.326 1.051 . . . . 0.0 112.731 173.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.8 m -67.23 -21.27 27.79 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.126 0.875 . . . . 0.0 112.493 177.421 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.2 m-70 -97.23 -40.41 8.78 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 126.032 1.733 . . . . 0.0 112.072 175.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.14 -28.11 62.85 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.564 1.078 . . . . 0.0 115.006 -177.698 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -120.22 32.11 6.18 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.877 1.671 . . . . 0.0 112.402 -178.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 pttp -69.75 -9.03 52.96 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 126.196 1.799 . . . . 0.0 115.605 -178.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 12.1 m95 . . . . . 0 C--O 1.252 1.228 0 C-N-CA 127.265 2.226 . . . . 0.0 114.13 -169.205 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.588 0 N-CA-C 112.042 -0.423 . . . . 0.0 112.042 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.7 m 61.45 171.04 0.11 Allowed 'General case' 0 N--CA 1.482 1.163 0 C-N-CA 126.541 1.936 . . . . 0.0 115.03 -176.096 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 62.0 p -82.54 -14.35 55.06 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 114.762 1.394 . . . . 0.0 114.762 -177.045 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -69.1 157.01 53.57 Favored Glycine 0 CA--C 1.538 1.497 0 C-N-CA 124.519 1.057 . . . . 0.0 114.101 178.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 t -150.11 157.85 43.55 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 125.133 1.373 . . . . 0.0 111.72 179.199 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.0 m -79.42 42.47 0.51 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 126.2 1.8 . . . . 0.0 113.658 -175.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -78.33 -164.89 26.15 Favored Glycine 0 CA--C 1.534 1.221 0 C-N-CA 125.379 1.466 . . . . 0.0 114.471 179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.1 mt -84.42 130.86 34.73 Favored 'General case' 0 CA--C 1.534 0.364 0 C-N-CA 124.281 1.032 . . . . 0.0 109.598 174.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.3 mt -128.96 -23.94 2.99 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.776 1.23 . . . . 0.0 114.303 -169.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -120.25 141.69 49.73 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 125.282 1.433 . . . . 0.0 111.104 -174.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -128.28 144.26 51.11 Favored 'General case' 0 CA--C 1.539 0.538 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -171.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.6 t -79.4 132.89 36.53 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 126.156 1.782 . . . . 0.0 110.848 170.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 14.5 p-80 -92.48 2.96 56.38 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.953 1.094 . . . . 0.0 113.953 175.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.7 mm -102.68 -44.16 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.97 0 C-N-CA 124.49 1.116 . . . . 0.0 111.69 177.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -132.96 5.5 3.88 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 115.098 1.518 . . . . 0.0 115.098 -170.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 67.32 11.98 8.68 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 115.921 1.823 . . . . 0.0 115.921 169.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.5 mtm180 -65.77 156.04 34.35 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 124.733 1.213 . . . . 0.0 112.049 169.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.2 mtmt -134.73 150.23 50.56 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.305 1.042 . . . . 0.0 112.895 -175.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 79.7 m-85 -139.28 159.01 43.17 Favored 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.412 1.485 . . . . 0.0 113.578 -168.559 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 58.0 mtpt -74.76 -35.83 62.57 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.22 1.008 . . . . 0.0 113.66 -178.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -123.17 158.99 29.55 Favored 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 125.0 1.32 . . . . 0.0 111.682 -179.031 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -61.7 -39.14 90.4 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.654 0.782 . . . . 0.0 110.28 173.5 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 49.2 tp -58.52 -53.04 62.84 Favored 'General case' 0 CA--C 1.533 0.307 0 C-N-CA 125.284 1.433 . . . . 0.0 111.931 176.401 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 -59.06 -37.11 76.27 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 118.651 0.66 . . . . 0.0 112.496 -177.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -72.26 -44.97 62.03 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 124.001 0.92 . . . . 0.0 111.335 174.748 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -61.7 -38.97 89.82 Favored 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.892 0.877 . . . . 0.0 112.189 -178.644 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -73.19 -25.05 60.62 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 172.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.8 t60 -69.07 -34.82 75.75 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 118.945 0.793 . . . . 0.0 112.206 169.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 75.0 mmm -58.35 -23.35 56.52 Favored 'General case' 0 N--CA 1.476 0.858 0 CA-C-N 120.783 1.629 . . . . 0.0 113.571 177.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 72.2 mt -59.67 -28.97 67.73 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.668 1.187 . . . . 0.0 113.159 174.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 m -69.21 -22.8 26.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 118.88 0.764 . . . . 0.0 112.702 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 61.2 m-70 -89.39 -10.29 47.1 Favored 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 125.554 1.542 . . . . 0.0 113.458 178.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 70.9 -118.26 7.43 Favored Glycine 0 CA--C 1.533 1.162 0 C-N-CA 124.383 0.992 . . . . 0.0 112.871 177.403 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 22.3 t70 63.05 -27.13 0.07 Allowed 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 128.469 2.708 . . . . 0.0 116.644 -177.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -72.49 -15.43 61.79 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.809 1.644 . . . . 0.0 114.538 174.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 51.7 m95 . . . . . 0 C--O 1.253 1.239 0 C-N-CA 125.702 1.601 . . . . 0.0 113.374 -171.877 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.622 0 N-CA-C 111.455 -0.658 . . . . 0.0 111.455 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.1 m -65.66 -15.57 62.9 Favored 'General case' 0 N--CA 1.479 0.989 0 N-CA-C 115.096 1.517 . . . . 0.0 115.096 -172.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.3 m -75.25 -8.43 56.61 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 125.127 1.371 . . . . 0.0 114.49 178.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.7 159.12 49.0 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.413 1.006 . . . . 0.0 114.392 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -142.86 162.24 35.97 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 125.467 1.507 . . . . 0.0 112.754 -177.648 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.0 t -152.3 179.95 8.08 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.466 1.506 . . . . 0.0 111.953 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 94.12 -10.02 72.06 Favored Glycine 0 N--CA 1.474 1.209 0 C-N-CA 125.892 1.711 . . . . 0.0 115.867 175.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 93.1 mt -120.45 124.09 44.59 Favored 'General case' 0 N--CA 1.466 0.331 0 C-N-CA 125.119 1.368 . . . . 0.0 109.014 174.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.2 mt -121.84 -24.97 5.11 Favored 'General case' 0 N--CA 1.471 0.593 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 -168.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.5 m-85 -121.75 140.57 52.16 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 124.818 1.247 . . . . 0.0 111.314 -173.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -129.9 145.94 51.61 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.909 1.077 . . . . 0.0 113.909 -172.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.4 t -83.46 125.05 31.32 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 126.01 1.724 . . . . 0.0 109.799 169.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 26.7 p80 -84.31 -0.15 51.37 Favored 'General case' 0 CA--C 1.544 0.748 0 N-CA-C 113.647 0.98 . . . . 0.0 113.647 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.8 mp -103.32 -43.72 9.07 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 124.791 1.236 . . . . 0.0 111.497 -174.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.5 p -128.75 6.65 5.6 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 -177.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 67.44 12.55 8.96 Favored 'General case' 0 CA--C 1.547 0.832 0 N-CA-C 116.185 1.92 . . . . 0.0 116.185 169.172 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -68.16 156.42 37.56 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.686 1.194 . . . . 0.0 112.399 169.517 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 56.4 mtmt -136.07 150.21 49.06 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.622 1.169 . . . . 0.0 112.752 -175.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.5 m-85 -139.09 160.51 39.61 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 125.255 1.422 . . . . 0.0 113.388 -168.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.5 mttt -74.53 -39.11 62.55 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.388 1.075 . . . . 0.0 113.253 -178.667 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 36.4 m-80 -122.71 160.25 26.26 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 125.541 1.537 . . . . 0.0 111.66 -177.161 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.73 -40.55 97.56 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.326 0.651 . . . . 0.0 110.286 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.5 tp -56.41 -51.96 66.41 Favored 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 125.109 1.364 . . . . 0.0 111.815 175.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -62.79 -31.41 72.37 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 -176.138 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.1 tmm_? -76.58 -43.9 36.85 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 124.024 0.93 . . . . 0.0 111.253 172.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -63.28 -39.47 94.68 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.848 0.859 . . . . 0.0 112.145 -178.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.0 ptt85 -69.39 -23.51 63.74 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.622 0.971 . . . . 0.0 113.622 173.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.3 t60 -76.43 -33.17 58.8 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.639 0.776 . . . . 0.0 111.729 169.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 44.8 mtp -61.57 -19.99 62.79 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 121.138 1.79 . . . . 0.0 113.373 176.304 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.8 mt -58.95 -24.54 62.64 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 125.017 1.327 . . . . 0.0 113.53 171.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m -74.53 -20.4 17.05 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 O-C-N 121.652 -0.655 . . . . 0.0 112.677 176.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -102.95 -48.49 4.05 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.866 1.666 . . . . 0.0 112.886 -178.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -90.16 121.25 6.11 Favored Glycine 0 CA--C 1.532 1.138 0 C-N-CA 124.762 1.172 . . . . 0.0 112.844 -178.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.1 p-10 -83.89 -35.91 23.76 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.585 1.154 . . . . 0.0 113.5 179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 16.8 pttm -143.09 13.48 1.84 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 126.676 1.99 . . . . 0.0 113.646 177.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 64.9 m95 . . . . . 0 C--O 1.253 1.284 0 C-N-CA 126.274 1.83 . . . . 0.0 112.687 -171.195 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.462 0 N-CA-C 111.45 -0.66 . . . . 0.0 111.45 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.9 m -79.33 -10.94 59.92 Favored 'General case' 0 N--CA 1.479 1.023 0 N-CA-C 114.807 1.41 . . . . 0.0 114.807 -174.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t -148.17 169.28 20.38 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 125.801 1.64 . . . . 0.0 111.578 179.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -159.89 164.94 34.47 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 125.253 1.406 . . . . 0.0 113.404 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.9 m -74.73 -14.67 60.75 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 115.096 1.517 . . . . 0.0 115.096 -170.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.8 m -143.92 146.25 32.84 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.662 1.585 . . . . 0.0 112.1 179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.41 142.54 30.39 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 123.753 0.692 . . . . 0.0 111.646 169.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.8 mt -111.59 134.14 53.36 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.576 1.15 . . . . 0.0 109.849 178.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 92.7 mt -119.41 -25.07 6.15 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 114.853 1.427 . . . . 0.0 114.853 -168.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 82.9 m-85 -119.42 143.56 47.41 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 125.025 1.33 . . . . 0.0 111.552 -173.162 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -130.54 143.78 50.98 Favored 'General case' 0 CA--C 1.537 0.452 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -171.629 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.1 t -80.49 131.43 35.56 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 125.99 1.716 . . . . 0.0 110.475 169.694 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.1 p-80 -91.9 3.82 54.32 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 176.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.7 mm -103.65 -43.27 8.55 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.868 0 C-N-CA 124.664 1.186 . . . . 0.0 111.661 178.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -133.94 5.88 3.63 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 115.114 1.524 . . . . 0.0 115.114 -171.456 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 67.79 7.66 5.88 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 116.035 1.865 . . . . 0.0 116.035 170.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -62.55 153.01 33.22 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.588 1.155 . . . . 0.0 111.743 169.464 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.8 mtmm -135.5 152.3 51.2 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.307 1.043 . . . . 0.0 112.633 -173.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 74.2 m-85 -142.46 161.36 38.24 Favored 'General case' 0 C--O 1.236 0.359 0 C-N-CA 124.865 1.266 . . . . 0.0 113.903 -167.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -79.64 -43.64 22.43 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.764 1.225 . . . . 0.0 113.259 -175.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 44.0 m-80 -110.03 160.49 16.39 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 124.656 1.182 . . . . 0.0 111.946 175.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -62.13 -40.04 94.6 Favored 'General case' 0 CA--C 1.535 0.387 0 C-N-CA 123.367 0.667 . . . . 0.0 110.299 171.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 55.1 tp -57.73 -50.19 74.03 Favored 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 125.17 1.388 . . . . 0.0 112.012 175.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -57.4 -35.83 70.53 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 112.982 0.734 . . . . 0.0 112.982 -179.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -78.22 -43.82 27.33 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.544 1.138 . . . . 0.0 111.727 175.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -61.2 -40.0 92.3 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.023 0.929 . . . . 0.0 112.451 -177.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.1 ptt-85 -72.91 -23.7 60.74 Favored 'General case' 0 N--CA 1.477 0.906 0 N-CA-C 113.994 1.109 . . . . 0.0 113.994 173.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.5 t60 -69.65 -34.37 73.92 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 118.862 0.755 . . . . 0.0 112.08 169.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.3 mmm -59.16 -22.11 60.44 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.775 1.625 . . . . 0.0 113.395 176.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 75.6 mt -61.55 -25.69 67.46 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 124.648 1.179 . . . . 0.0 113.358 174.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m -70.59 -24.37 25.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 CA-C-N 118.77 0.714 . . . . 0.0 112.3 175.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -93.74 -33.39 13.63 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 125.724 1.61 . . . . 0.0 112.409 176.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.72 -168.86 54.82 Favored Glycine 0 CA--C 1.537 1.424 0 C-N-CA 125.081 1.324 . . . . 0.0 114.455 178.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -133.03 -98.54 0.28 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.261 1.424 . . . . 0.0 110.204 -178.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt 55.09 25.07 6.67 Favored 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 126.784 2.033 . . . . 0.0 114.911 172.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 57.1 m95 . . . . . 0 C--O 1.253 1.283 0 C-N-CA 125.674 1.589 . . . . 0.0 113.302 -178.534 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.59 0 N-CA-C 112.053 -0.419 . . . . 0.0 112.053 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 t -72.35 148.43 45.33 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 123.923 0.889 . . . . 0.0 112.607 178.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 p -83.58 -11.03 57.86 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 125.142 1.377 . . . . 0.0 113.644 171.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -70.65 143.04 36.17 Favored Glycine 0 CA--C 1.535 1.316 0 C-N-CA 124.464 1.031 . . . . 0.0 113.598 179.311 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.6 m -76.75 151.3 36.07 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 124.624 1.17 . . . . 0.0 113.044 -179.469 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.3 p -144.5 152.25 40.31 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 125.626 1.57 . . . . 0.0 111.16 172.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.14 -48.48 1.75 Allowed Glycine 0 N--CA 1.477 1.393 0 C-N-CA 125.144 1.354 . . . . 0.0 114.194 -174.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 82.3 mt -86.88 127.44 35.04 Favored 'General case' 0 C--O 1.234 0.254 0 C-N-CA 125.979 1.711 . . . . 0.0 109.389 174.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 83.9 mt -125.31 -23.25 4.18 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 124.496 1.118 . . . . 0.0 113.929 -171.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -123.96 143.94 50.1 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.247 1.419 . . . . 0.0 111.391 -174.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -134.11 147.54 50.86 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 114.012 1.115 . . . . 0.0 114.012 -172.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.3 t -83.52 137.48 33.85 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.702 2.001 . . . . 0.0 110.516 170.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 12.5 p-80 -95.13 1.83 54.96 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 114.058 1.132 . . . . 0.0 114.058 177.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.0 mp -108.93 -44.47 6.44 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.809 0 C-N-CA 124.638 1.175 . . . . 0.0 111.402 -175.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.3 p -124.39 4.74 8.38 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 115.0 1.482 . . . . 0.0 115.0 -178.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 67.74 4.58 3.99 Favored 'General case' 0 CA--C 1.545 0.753 0 N-CA-C 115.967 1.839 . . . . 0.0 115.967 170.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.1 mtt85 -62.24 159.17 15.49 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 125.577 1.551 . . . . 0.0 112.458 172.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -140.97 153.14 45.46 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 114.74 1.385 . . . . 0.0 114.74 -168.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -143.01 158.79 43.27 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-N 114.789 -1.096 . . . . 0.0 113.63 -169.03 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.6 mttp -77.62 -36.81 51.34 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.417 1.087 . . . . 0.0 113.498 -179.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -118.35 158.02 26.02 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 125.086 1.354 . . . . 0.0 111.624 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -63.02 -39.73 95.64 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.213 174.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.5 tp -56.54 -52.4 64.94 Favored 'General case' 0 CA--C 1.533 0.289 0 C-N-CA 125.067 1.347 . . . . 0.0 111.785 174.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 37.2 m-20 -62.34 -32.01 72.72 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 113.241 0.83 . . . . 0.0 113.241 -175.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -75.75 -44.68 40.45 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.951 0.9 . . . . 0.0 111.191 172.144 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -62.46 -38.52 90.13 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 123.691 0.797 . . . . 0.0 112.393 -177.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 56.0 ptt85 -70.13 -22.09 63.03 Favored 'General case' 0 N--CA 1.479 0.978 0 N-CA-C 113.969 1.1 . . . . 0.0 113.969 172.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 57.4 t60 -78.13 -33.08 50.66 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.003 0.921 . . . . 0.0 112.107 169.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 81.8 mmm -60.25 -21.07 61.42 Favored 'General case' 0 N--CA 1.478 0.944 0 CA-C-N 120.859 1.663 . . . . 0.0 113.149 175.768 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.9 mt -58.16 -29.53 65.67 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 124.69 1.196 . . . . 0.0 112.832 173.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.6 m -71.5 -20.95 21.24 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.05 0 CA-C-N 118.832 0.742 . . . . 0.0 112.733 178.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.9 m-70 -101.36 -3.12 29.36 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 126.673 1.989 . . . . 0.0 113.46 177.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.6 125.62 17.28 Favored Glycine 0 CA--C 1.534 1.247 0 C-N-CA 124.401 1.001 . . . . 0.0 114.045 -173.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 m-20 -143.35 121.99 12.55 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.296 1.838 . . . . 0.0 109.071 169.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -70.25 -30.14 67.12 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 124.693 1.197 . . . . 0.0 113.864 -174.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 68.9 p-90 . . . . . 0 C--O 1.254 1.296 0 C-N-CA 126.874 2.07 . . . . 0.0 112.841 -178.021 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.584 0 N-CA-C 111.652 -0.579 . . . . 0.0 111.652 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.5 p -84.9 -19.09 32.82 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.737 1.384 . . . . 0.0 114.737 -177.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.1 m 55.04 25.59 7.16 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.667 1.587 . . . . 0.0 114.33 -169.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.63 158.88 49.04 Favored Glycine 0 CA--C 1.538 1.491 0 C-N-CA 124.622 1.106 . . . . 0.0 113.882 178.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.3 m 55.04 28.82 11.34 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 125.546 1.538 . . . . 0.0 114.889 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.5 t -89.39 144.26 26.2 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.77 1.228 . . . . 0.0 111.627 176.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 74.38 -65.9 1.99 Allowed Glycine 0 CA--C 1.53 0.998 0 C-N-CA 125.355 1.455 . . . . 0.0 113.83 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 96.4 mt -86.09 126.56 34.28 Favored 'General case' 0 CA--C 1.532 0.266 0 C-N-CA 124.861 1.264 . . . . 0.0 109.991 178.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 80.5 mt -127.45 -23.63 3.46 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 114.143 1.164 . . . . 0.0 114.143 -171.176 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.0 m-85 -124.1 144.99 49.55 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 125.126 1.37 . . . . 0.0 111.47 -174.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -135.04 148.1 49.81 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 -171.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 40.1 t -87.24 134.35 33.55 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.39 1.876 . . . . 0.0 110.387 169.682 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 29.1 p80 -94.27 1.05 56.0 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.821 1.045 . . . . 0.0 113.821 177.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.8 mp -106.15 -43.99 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 C-N-CA 124.686 1.195 . . . . 0.0 111.305 -176.274 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 15.1 p -127.41 5.34 6.28 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 115.167 1.543 . . . . 0.0 115.167 -177.115 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 66.89 11.84 8.56 Favored 'General case' 0 CA--C 1.546 0.802 0 N-CA-C 116.224 1.935 . . . . 0.0 116.224 169.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 8.7 mtm180 -66.75 157.28 33.2 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.844 1.258 . . . . 0.0 112.387 169.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -138.8 153.36 48.38 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.504 1.122 . . . . 0.0 113.452 -175.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -141.78 160.14 40.79 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.81 1.244 . . . . 0.0 113.352 -169.522 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -80.11 -34.25 38.05 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 124.565 1.146 . . . . 0.0 114.013 -176.205 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.0 p30 -128.43 160.19 33.05 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 124.884 1.274 . . . . 0.0 111.249 177.221 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -61.26 -38.43 86.67 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 124.3 1.04 . . . . 0.0 110.736 -178.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.7 tp -56.76 -52.69 64.04 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.977 1.311 . . . . 0.0 111.883 176.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -62.16 -31.91 72.46 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.603 1.161 . . . . 0.0 112.697 -176.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -76.81 -44.41 32.74 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.444 0.698 . . . . 0.0 111.361 172.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -62.9 -38.53 91.32 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.604 0.761 . . . . 0.0 112.346 -177.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 52.4 ptt85 -70.73 -23.71 62.49 Favored 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 172.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -74.01 -32.99 63.63 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 118.71 -0.662 . . . . 0.0 112.052 169.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 89.1 mmm -59.82 -22.17 61.86 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-N 120.912 1.687 . . . . 0.0 113.197 176.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 64.9 mt -58.0 -31.94 67.44 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.677 1.191 . . . . 0.0 112.612 173.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m -68.08 -21.73 27.08 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 CA-C-N 119.15 0.887 . . . . 0.0 112.843 -179.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 70.6 m-70 -91.63 -4.58 55.08 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 125.999 1.719 . . . . 0.0 113.269 176.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -69.02 144.43 41.42 Favored Glycine 0 CA--C 1.536 1.394 0 C-N-CA 124.46 1.029 . . . . 0.0 113.258 174.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -103.25 -7.06 21.46 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.931 1.292 . . . . 0.0 113.82 -176.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.0 tptm -75.37 -18.91 59.84 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 125.314 1.446 . . . . 0.0 114.005 -174.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 41.4 m95 . . . . . 0 C--O 1.252 1.19 0 C-N-CA 125.386 1.474 . . . . 0.0 114.005 -172.488 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.555 0 N-CA-C 111.853 -0.499 . . . . 0.0 111.853 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 p 58.12 -178.03 0.07 Allowed 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 127.017 2.127 . . . . 0.0 114.959 -173.654 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.7 t -145.97 145.1 30.52 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.987 1.315 . . . . 0.0 111.846 -179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -66.08 -15.5 62.98 Favored Glycine 0 CA--C 1.539 1.543 0 C-N-CA 124.185 0.898 . . . . 0.0 114.137 172.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.5 m -85.06 3.35 39.15 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.212 1.405 . . . . 0.0 113.898 175.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 36.6 t -63.41 148.87 47.33 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.6 1.16 . . . . 0.0 113.359 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -74.07 -7.91 77.55 Favored Glycine 0 CA--C 1.532 1.152 0 C-N-CA 125.093 1.33 . . . . 0.0 114.944 172.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.1 mt -95.83 127.04 41.52 Favored 'General case' 0 C--O 1.233 0.233 0 C-N-CA 124.874 1.27 . . . . 0.0 110.473 -172.82 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 84.1 mt -120.11 -24.04 6.13 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.663 1.185 . . . . 0.0 113.975 -170.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -124.04 143.72 50.26 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 125.137 1.375 . . . . 0.0 111.428 -174.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -132.25 147.07 52.39 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.417 1.087 . . . . 0.0 113.521 -173.327 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.9 t -82.04 132.1 35.25 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.408 1.883 . . . . 0.0 110.839 173.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.6 p-80 -90.77 4.21 52.27 Favored 'General case' 0 CA--C 1.545 0.782 0 N-CA-C 113.863 1.06 . . . . 0.0 113.863 176.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 20.0 mm -105.31 -44.93 8.54 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.948 0 C-N-CA 124.682 1.193 . . . . 0.0 111.755 178.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -130.48 4.67 4.7 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 114.838 1.421 . . . . 0.0 114.838 -172.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 67.71 5.58 4.52 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 115.94 1.83 . . . . 0.0 115.94 171.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.3 mtt85 -61.5 159.85 12.17 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 125.38 1.472 . . . . 0.0 112.366 170.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 63.3 mttp -141.2 152.99 45.06 Favored 'General case' 0 N--CA 1.477 0.897 0 N-CA-C 115.067 1.506 . . . . 0.0 115.067 -168.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -142.91 158.92 43.15 Favored 'General case' 0 CA--C 1.537 0.464 0 C-N-CA 124.527 1.131 . . . . 0.0 113.841 -168.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -77.43 -36.5 53.04 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.55 1.14 . . . . 0.0 113.348 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 35.5 m-80 -119.32 157.99 27.01 Favored 'General case' 0 N--CA 1.465 0.32 0 C-N-CA 125.132 1.373 . . . . 0.0 111.666 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -62.68 -40.22 96.41 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.236 174.404 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 40.9 tp -56.24 -52.45 64.4 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 125.17 1.388 . . . . 0.0 111.778 175.111 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -62.05 -32.15 72.63 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -176.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.6 tmm_? -76.17 -44.08 39.74 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 124.11 0.964 . . . . 0.0 111.258 172.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -62.66 -39.47 94.0 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.878 0.871 . . . . 0.0 111.995 -178.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.5 ptt85 -71.07 -21.92 62.18 Favored 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 113.958 1.095 . . . . 0.0 113.958 173.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -75.84 -34.52 60.08 Favored 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 123.706 0.802 . . . . 0.0 112.255 170.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 72.0 mmm -59.46 -22.18 61.16 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 120.924 1.693 . . . . 0.0 113.095 176.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.2 mt -59.15 -26.56 64.87 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.978 1.311 . . . . 0.0 113.416 173.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 m -72.42 -22.95 20.85 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.01 0 CA-C-N 118.887 0.767 . . . . 0.0 112.501 177.126 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 60.1 m-70 -98.18 -28.56 13.66 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 125.694 1.597 . . . . 0.0 113.371 179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -64.28 145.98 50.0 Favored Glycine 0 CA--C 1.538 1.493 0 C-N-CA 124.598 1.095 . . . . 0.0 114.656 -173.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -92.34 2.62 56.53 Favored 'General case' 0 CA--C 1.546 0.815 0 C-N-CA 125.077 1.351 . . . . 0.0 113.918 -177.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -76.94 -5.74 49.76 Favored 'General case' 0 N--CA 1.478 0.973 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -171.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 97.9 m95 . . . . . 0 C--O 1.252 1.222 0 C-N-CA 125.42 1.488 . . . . 0.0 113.151 178.373 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.606 0 N-CA-C 111.878 -0.489 . . . . 0.0 111.878 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.0 p -150.22 176.98 10.36 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 125.398 1.479 . . . . 0.0 112.045 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.2 m -61.85 -12.15 16.18 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.704 1.202 . . . . 0.0 114.124 173.089 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -73.84 3.68 34.45 Favored Glycine 0 CA--C 1.539 1.569 0 C-N-CA 125.486 1.517 . . . . 0.0 115.003 172.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.6 p -59.89 -22.37 62.29 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.136 1.374 . . . . 0.0 113.818 174.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.4 p -140.91 148.44 40.44 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 126.304 1.842 . . . . 0.0 110.76 169.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.46 171.15 54.89 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 115.883 1.113 . . . . 0.0 115.883 -170.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 68.8 mt -87.99 140.86 29.07 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.53 1.132 . . . . 0.0 109.566 169.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 85.3 mt -122.89 -23.73 4.96 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.9 1.28 . . . . 0.0 114.061 -170.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.6 m-85 -122.28 147.96 45.6 Favored 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.292 1.437 . . . . 0.0 111.528 -174.037 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -137.26 144.43 42.71 Favored 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 124.696 1.199 . . . . 0.0 112.996 -169.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.5 t -89.17 120.95 31.01 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 125.981 1.713 . . . . 0.0 111.122 174.469 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.6 p-80 -82.74 3.18 30.32 Favored 'General case' 0 CA--C 1.546 0.814 0 N-CA-C 113.96 1.096 . . . . 0.0 113.96 176.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 18.2 mm -102.48 -44.03 9.84 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 124.45 1.1 . . . . 0.0 111.769 178.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.2 p -134.78 6.31 3.43 Favored 'General case' 0 CA--C 1.544 0.725 0 N-CA-C 115.204 1.557 . . . . 0.0 115.204 -170.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 67.52 14.61 9.64 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 115.682 1.734 . . . . 0.0 115.682 169.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 7.1 mtm180 -70.9 156.02 40.1 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.612 1.165 . . . . 0.0 111.875 169.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -136.86 151.99 49.73 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 113.665 0.987 . . . . 0.0 113.665 -174.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -142.02 158.45 43.75 Favored 'General case' 0 CA--C 1.535 0.367 0 C-N-CA 124.638 1.175 . . . . 0.0 113.063 -169.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.5 ttmt -82.41 -39.67 22.32 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.567 1.147 . . . . 0.0 113.493 -176.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 59.5 m-80 -108.06 158.31 17.51 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 124.601 1.16 . . . . 0.0 112.005 174.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -65.1 -40.82 95.1 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.234 0.613 . . . . 0.0 110.162 174.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.7 tp -56.11 -50.47 70.98 Favored 'General case' 0 CA--C 1.53 0.199 0 C-N-CA 124.961 1.304 . . . . 0.0 111.358 174.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -62.04 -29.81 70.54 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -176.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -78.97 -44.54 22.21 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.275 1.03 . . . . 0.0 111.558 171.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -62.43 -38.17 88.69 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.774 0.83 . . . . 0.0 112.297 -177.47 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.7 ptt85 -70.65 -23.37 62.51 Favored 'General case' 0 N--CA 1.478 0.929 0 N-CA-C 113.813 1.042 . . . . 0.0 113.813 172.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -75.54 -34.83 60.78 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 123.639 0.776 . . . . 0.0 112.096 170.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 78.8 mmm -59.2 -21.79 60.03 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 120.957 1.708 . . . . 0.0 113.286 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.9 mt -58.84 -29.35 66.85 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 124.674 1.189 . . . . 0.0 112.938 173.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m -70.51 -23.14 24.16 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.088 0 CA-C-N 118.808 0.731 . . . . 0.0 112.464 178.365 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -94.85 -40.49 9.7 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 125.503 1.521 . . . . 0.0 111.941 176.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.53 -95.66 0.68 Allowed Glycine 0 CA--C 1.531 1.085 0 C-N-CA 125.76 1.648 . . . . 0.0 113.382 179.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -85.91 44.87 1.16 Allowed 'General case' 0 CA--C 1.547 0.839 0 N-CA-C 114.975 1.472 . . . . 0.0 114.975 -169.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.96 -1.96 49.81 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.631 1.572 . . . . 0.0 114.972 173.485 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.4 p-90 . . . . . 0 C--O 1.253 1.247 0 C-N-CA 126.186 1.795 . . . . 0.0 113.621 -179.954 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.506 0 N-CA-C 111.517 -0.633 . . . . 0.0 111.517 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.2 m -66.86 155.87 37.21 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.675 1.19 . . . . 0.0 113.246 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.1 t -141.94 148.88 39.38 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 125.058 1.343 . . . . 0.0 111.758 177.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 76.23 159.3 8.81 Favored Glycine 0 CA--C 1.538 1.523 0 C-N-CA 125.224 1.392 . . . . 0.0 113.855 -172.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.2 m -141.03 129.42 22.43 Favored 'General case' 0 N--CA 1.475 0.775 0 C-N-CA 124.569 1.148 . . . . 0.0 112.015 -176.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.2 m -71.93 -16.88 62.11 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.523 1.129 . . . . 0.0 113.742 179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -71.55 -6.34 62.18 Favored Glycine 0 CA--C 1.535 1.288 0 C-N-CA 125.137 1.351 . . . . 0.0 115.214 174.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.3 mt -111.81 119.39 38.42 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.217 1.407 . . . . 0.0 109.62 -177.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.9 mp -101.2 -19.4 15.73 Favored 'General case' 0 N--CA 1.47 0.561 0 C-N-CA 125.032 1.333 . . . . 0.0 113.872 -169.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -126.31 149.75 48.95 Favored 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 125.392 1.477 . . . . 0.0 111.283 -171.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -135.21 144.2 46.8 Favored 'General case' 0 CA--C 1.536 0.426 0 N-CA-C 113.828 1.047 . . . . 0.0 113.828 -172.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.84 130.26 35.01 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 126.077 1.751 . . . . 0.0 110.494 171.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.8 p-80 -89.98 1.66 56.02 Favored 'General case' 0 CA--C 1.544 0.717 0 N-CA-C 113.804 1.039 . . . . 0.0 113.804 176.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.4 mm -100.74 -45.16 11.5 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.867 0 C-N-CA 124.546 1.138 . . . . 0.0 111.378 178.104 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.9 p -129.55 10.24 5.62 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 115.788 1.773 . . . . 0.0 115.788 -172.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 63.44 12.18 6.13 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 115.264 1.579 . . . . 0.0 115.264 169.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 83.3 mtt85 -69.8 164.7 23.06 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.319 1.448 . . . . 0.0 111.969 169.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 44.1 mtpt -140.36 155.03 46.92 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.4 1.259 . . . . 0.0 114.4 -176.5 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -140.38 159.85 41.29 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 125.216 1.406 . . . . 0.0 113.676 -169.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -73.61 -36.82 65.53 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.43 1.092 . . . . 0.0 113.497 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -124.72 159.41 30.93 Favored 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 125.05 1.34 . . . . 0.0 111.676 -178.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -61.34 -38.98 88.89 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.314 173.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.89 -52.87 63.87 Favored 'General case' 0 CA--C 1.532 0.267 0 C-N-CA 125.206 1.402 . . . . 0.0 112.049 176.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.5 m-20 -59.23 -37.52 77.73 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 118.497 0.589 . . . . 0.0 112.255 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -71.68 -45.01 63.24 Favored 'General case' 0 N--CA 1.471 0.612 0 C-N-CA 123.813 0.845 . . . . 0.0 111.338 174.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -61.35 -40.15 93.19 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 123.873 0.869 . . . . 0.0 112.35 -178.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.4 ptp180 -73.51 -23.34 60.01 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 114.113 1.153 . . . . 0.0 114.113 173.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 52.0 t60 -70.4 -32.9 70.73 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 118.714 0.688 . . . . 0.0 112.249 169.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.2 mmm -57.96 -24.84 59.71 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 120.887 1.676 . . . . 0.0 113.17 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.8 mt -60.13 -24.89 65.05 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.916 1.286 . . . . 0.0 113.543 175.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 m -71.5 -22.67 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.081 0 O-C-N 121.544 -0.723 . . . . 0.0 112.633 176.384 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 59.6 m-70 -92.86 -18.04 23.32 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 125.581 1.552 . . . . 0.0 113.626 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 169.75 171.77 35.64 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 124.192 0.901 . . . . 0.0 114.279 177.336 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -111.3 7.4 21.04 Favored 'General case' 0 CA--C 1.55 0.944 0 C-N-CA 125.56 1.544 . . . . 0.0 113.176 -179.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -82.44 -5.93 58.98 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.671 1.588 . . . . 0.0 114.572 -172.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 61.7 m95 . . . . . 0 C--O 1.254 1.293 0 C-N-CA 126.123 1.769 . . . . 0.0 113.687 -175.092 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.58 0 N-CA-C 111.343 -0.703 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.7 p -82.56 -16.89 46.89 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 114.739 1.385 . . . . 0.0 114.739 -176.737 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -150.34 163.6 37.93 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.496 1.518 . . . . 0.0 111.826 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 78.28 -9.99 30.88 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.636 1.589 . . . . 0.0 115.958 177.042 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.5 p -69.09 -13.73 62.6 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 125.281 1.433 . . . . 0.0 114.545 -179.557 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 p -79.57 -27.48 41.17 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.902 1.281 . . . . 0.0 112.984 169.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.51 -42.51 3.91 Favored Glycine 0 CA--C 1.53 1.0 0 C-N-CA 125.27 1.415 . . . . 0.0 113.781 178.304 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.3 mt -96.97 122.62 40.16 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.993 1.317 . . . . 0.0 110.21 -179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 93.6 mt -124.37 -24.71 4.22 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.988 1.315 . . . . 0.0 114.467 -168.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.9 m-85 -118.36 141.83 48.14 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.104 1.362 . . . . 0.0 111.223 -174.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -128.88 143.41 50.89 Favored 'General case' 0 CA--C 1.538 0.507 0 N-CA-C 114.084 1.142 . . . . 0.0 114.084 -171.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -79.12 129.49 34.51 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 125.856 1.662 . . . . 0.0 110.469 169.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 p-80 -90.21 3.53 53.22 Favored 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 113.753 1.02 . . . . 0.0 113.753 175.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.9 mm -103.41 -44.7 9.69 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 124.737 1.215 . . . . 0.0 111.343 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.4 p -133.25 11.54 4.18 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 115.912 1.819 . . . . 0.0 115.912 -172.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 64.53 6.72 3.29 Favored 'General case' 0 CA--C 1.548 0.895 0 N-CA-C 116.13 1.9 . . . . 0.0 116.13 169.379 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -63.7 153.04 37.45 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 125.036 1.334 . . . . 0.0 112.023 169.471 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.7 mtmm -136.02 151.36 49.8 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 124.258 1.023 . . . . 0.0 112.76 -173.122 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 73.8 m-85 -140.31 160.25 40.39 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.041 1.336 . . . . 0.0 113.867 -167.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -74.23 -37.41 63.83 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 124.318 1.047 . . . . 0.0 113.655 -178.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -124.12 159.65 29.53 Favored 'General case' 0 CA--C 1.532 0.277 0 C-N-CA 125.242 1.417 . . . . 0.0 111.493 -177.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -62.04 -39.87 93.8 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.607 -0.724 . . . . 0.0 110.29 174.372 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 41.3 tp -56.97 -52.36 65.56 Favored 'General case' 0 CA--C 1.532 0.253 0 C-N-CA 125.102 1.361 . . . . 0.0 111.884 174.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -62.34 -32.08 72.81 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 113.27 0.841 . . . . 0.0 113.27 -175.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -75.78 -44.17 42.81 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.161 0.984 . . . . 0.0 111.292 172.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -62.64 -39.24 93.23 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 123.827 0.851 . . . . 0.0 112.03 -178.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 55.8 ptt85 -70.81 -22.88 62.3 Favored 'General case' 0 N--CA 1.477 0.91 0 N-CA-C 113.835 1.05 . . . . 0.0 113.835 173.229 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 53.8 t60 -74.72 -35.19 62.68 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 123.559 0.744 . . . . 0.0 112.09 169.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 76.5 mmm -58.24 -22.64 53.02 Favored 'General case' 0 N--CA 1.478 0.963 0 CA-C-N 121.021 1.737 . . . . 0.0 113.287 176.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 66.5 mt -58.96 -26.71 64.68 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.873 1.269 . . . . 0.0 113.468 173.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 m -71.31 -23.77 23.36 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 CA-C-N 118.771 0.714 . . . . 0.0 112.4 176.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -95.51 -34.98 11.85 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.706 1.602 . . . . 0.0 112.331 176.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 83.2 -174.7 52.54 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 125.624 1.583 . . . . 0.0 115.406 174.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -119.83 28.3 8.2 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 126.329 1.852 . . . . 0.0 111.987 -177.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 25.1 pttm -72.19 -18.43 61.86 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 126.448 1.899 . . . . 0.0 115.013 -174.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.252 1.233 0 C-N-CA 128.103 2.561 . . . . 0.0 112.799 -178.427 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.729 0 N-CA-C 110.813 -0.915 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.0 p -62.28 -16.15 52.03 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.707 1.203 . . . . 0.0 114.059 175.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.4 p -60.28 -26.25 66.35 Favored 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 126.865 2.066 . . . . 0.0 114.116 169.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 71.01 5.34 58.1 Favored Glycine 0 CA--C 1.539 1.574 0 C-N-CA 124.917 1.246 . . . . 0.0 115.142 -174.574 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.3 t -155.74 150.32 26.07 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 125.121 1.369 . . . . 0.0 112.109 -177.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.5 m -76.62 -13.67 60.04 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.524 1.129 . . . . 0.0 113.298 170.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.94 -175.91 40.98 Favored Glycine 0 CA--C 1.533 1.193 0 C-N-CA 124.655 1.121 . . . . 0.0 114.289 -175.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 88.0 mt -111.52 133.52 53.74 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 125.084 1.354 . . . . 0.0 109.913 173.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 90.4 mt -129.74 -25.18 2.62 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 125.21 1.404 . . . . 0.0 114.448 -169.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 76.4 m-85 -121.81 146.43 47.08 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 125.039 1.336 . . . . 0.0 111.491 -174.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -131.77 144.05 50.66 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 114.055 1.132 . . . . 0.0 114.055 -171.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 38.9 t -80.81 131.22 35.38 Favored 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.815 1.646 . . . . 0.0 110.194 169.439 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.5 p80 -91.71 4.88 51.72 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.871 1.063 . . . . 0.0 113.871 176.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 19.8 mm -105.59 -43.6 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 C-N-CA 124.778 1.231 . . . . 0.0 111.654 179.146 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.1 p -133.19 6.31 3.87 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 114.944 1.461 . . . . 0.0 114.944 -171.558 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 67.59 7.95 6.0 Favored 'General case' 0 CA--C 1.544 0.734 0 N-CA-C 116.018 1.858 . . . . 0.0 116.018 170.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -62.39 152.44 34.11 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.579 1.152 . . . . 0.0 111.856 169.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.2 mtmm -135.95 151.2 49.69 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.328 1.051 . . . . 0.0 112.485 -173.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 88.4 m-85 -138.76 162.54 34.45 Favored 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 115.028 1.492 . . . . 0.0 115.028 -166.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.4 mppt? -76.12 -41.59 49.69 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 125.266 1.427 . . . . 0.0 112.936 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -129.3 161.74 29.54 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 125.076 1.351 . . . . 0.0 111.56 176.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -61.32 -38.03 85.38 Favored 'General case' 0 N--CA 1.466 0.37 0 C-N-CA 124.667 1.187 . . . . 0.0 110.812 -178.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.1 tp -57.54 -51.15 70.66 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 125.05 1.34 . . . . 0.0 111.973 176.061 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -63.02 -33.6 75.78 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.733 0.813 . . . . 0.0 112.204 -176.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.2 tmm_? -73.57 -44.86 56.33 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 124.215 1.006 . . . . 0.0 111.473 172.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -62.17 -40.33 95.67 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 123.683 0.793 . . . . 0.0 112.175 -178.456 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 35.0 ptt180 -70.77 -21.66 62.48 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 173.216 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.8 t60 -74.72 -35.22 62.68 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 123.694 0.798 . . . . 0.0 111.842 169.493 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 79.3 mmm -58.54 -21.76 53.48 Favored 'General case' 0 N--CA 1.477 0.918 0 CA-C-N 121.003 1.729 . . . . 0.0 113.369 175.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.4 mt -60.75 -23.54 65.03 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 125.158 1.383 . . . . 0.0 113.835 173.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.9 m -73.92 -21.69 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.002 0 C-N-CA 123.451 0.7 . . . . 0.0 112.391 175.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -97.76 -50.17 4.55 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 125.859 1.664 . . . . 0.0 111.627 177.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 43.46 -121.55 3.42 Favored Glycine 0 CA--C 1.533 1.208 0 C-N-CA 126.558 2.028 . . . . 0.0 113.528 174.176 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -132.67 32.44 3.86 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 125.558 1.543 . . . . 0.0 110.087 167.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -109.18 26.0 11.14 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 128.155 2.582 . . . . 0.0 113.913 -168.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 11.5 m95 . . . . . 0 C--O 1.254 1.336 0 C-N-CA 128.428 2.691 . . . . 0.0 114.35 -175.527 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.486 0 N-CA-C 110.412 -1.075 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.6 p -68.37 -42.67 78.8 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-N 117.745 0.772 . . . . 0.0 110.998 169.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.5 m 54.39 22.2 3.66 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 127.565 2.346 . . . . 0.0 116.759 168.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 66.39 -164.83 40.74 Favored Glycine 0 CA--C 1.538 1.524 0 C-N-CA 124.815 1.197 . . . . 0.0 114.861 177.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.1 m 52.8 33.17 13.61 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 125.796 1.638 . . . . 0.0 115.058 177.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.7 t -146.95 -66.71 0.27 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.702 1.201 . . . . 0.0 112.477 -177.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.08 -0.3 79.75 Favored Glycine 0 CA--C 1.532 1.108 0 N-CA-C 115.277 0.871 . . . . 0.0 115.277 -172.272 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 46.5 mt -107.74 126.23 52.36 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 118.409 1.104 . . . . 0.0 110.771 -173.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.8 mt -105.95 -23.72 12.6 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 125.215 1.406 . . . . 0.0 114.018 -172.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 79.3 m-85 -122.99 145.8 48.18 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.132 1.373 . . . . 0.0 111.781 -173.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -133.24 145.33 50.44 Favored 'General case' 0 CA--C 1.537 0.471 0 C-N-CA 124.523 1.129 . . . . 0.0 113.454 -174.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.0 t -82.52 125.87 31.62 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 125.751 1.62 . . . . 0.0 110.385 171.374 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 32.0 p80 -86.42 5.83 33.15 Favored 'General case' 0 CA--C 1.545 0.752 0 N-CA-C 113.775 1.028 . . . . 0.0 113.775 176.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 14.7 mm -105.3 -43.23 7.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.818 0 C-N-CA 124.67 1.188 . . . . 0.0 111.702 179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.6 p -134.49 5.91 3.49 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.112 1.523 . . . . 0.0 115.112 -171.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 68.16 10.62 7.94 Favored 'General case' 0 CA--C 1.547 0.841 0 N-CA-C 115.996 1.85 . . . . 0.0 115.996 170.041 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.7 mtm180 -65.92 157.64 30.14 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 124.652 1.181 . . . . 0.0 111.931 169.132 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 90.7 mttt -138.59 152.63 48.32 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 114.052 1.13 . . . . 0.0 114.052 -174.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -141.78 159.67 41.75 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.759 1.224 . . . . 0.0 113.666 -168.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.9 mtpt -77.53 -35.21 53.54 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.313 1.045 . . . . 0.0 113.773 -177.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.2 p30 -129.41 160.64 32.47 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 124.843 1.257 . . . . 0.0 111.262 178.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -61.29 -38.76 87.94 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.273 1.029 . . . . 0.0 110.711 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.3 tp -56.47 -52.52 64.39 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 125.163 1.385 . . . . 0.0 111.855 176.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 -61.97 -32.36 72.8 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 124.675 1.19 . . . . 0.0 112.81 -177.069 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -76.7 -43.54 37.2 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 123.852 0.861 . . . . 0.0 111.419 173.072 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -63.7 -40.4 96.71 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.848 0.859 . . . . 0.0 111.997 -178.162 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.6 ptt85 -70.28 -24.85 63.11 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 173.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -72.9 -36.34 67.28 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.305 0.642 . . . . 0.0 111.728 169.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.1 mtp -59.79 -20.83 59.15 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 120.573 1.533 . . . . 0.0 113.564 177.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.7 mt -58.92 -30.21 67.66 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.701 1.2 . . . . 0.0 113.095 172.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 m -68.26 -22.45 27.48 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 CA-C-N 119.156 0.889 . . . . 0.0 112.629 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.0 m-70 -91.16 -3.5 56.98 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 125.922 1.689 . . . . 0.0 113.378 176.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -70.94 28.41 0.52 Allowed Glycine 0 CA--C 1.539 1.579 0 C-N-CA 126.636 2.065 . . . . 0.0 115.976 179.459 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -79.34 37.21 0.32 Allowed 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 127.024 2.129 . . . . 0.0 113.228 -176.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -83.32 -15.27 50.74 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 126.38 1.872 . . . . 0.0 113.99 -173.514 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 63.4 p-90 . . . . . 0 C--O 1.255 1.355 0 C-N-CA 126.765 2.026 . . . . 0.0 113.753 -176.926 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.524 0 N-CA-C 112.131 -0.388 . . . . 0.0 112.131 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p -147.11 171.29 15.55 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 125.422 1.489 . . . . 0.0 112.253 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.8 p -73.14 -16.39 61.45 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.358 1.244 . . . . 0.0 114.358 177.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.43 -165.0 47.55 Favored Glycine 0 CA--C 1.539 1.581 0 C-N-CA 124.936 1.255 . . . . 0.0 115.037 177.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.2 t -151.52 166.36 31.38 Favored 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 125.817 1.647 . . . . 0.0 111.07 176.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.5 t -68.41 133.21 48.33 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.742 0.817 . . . . 0.0 112.352 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -85.57 1.16 88.35 Favored Glycine 0 CA--C 1.535 1.286 0 C-N-CA 124.603 1.097 . . . . 0.0 114.434 170.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.2 mt -129.21 117.41 20.7 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.142 1.777 . . . . 0.0 108.357 -177.699 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 87.5 mt -81.74 -25.08 35.69 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 115.786 1.773 . . . . 0.0 115.786 -168.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 -119.73 146.14 45.91 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.869 1.268 . . . . 0.0 111.32 -171.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -135.45 148.37 49.24 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 115.218 1.562 . . . . 0.0 115.218 -169.66 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 46.7 t -86.3 126.82 34.59 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.53 1.532 . . . . 0.0 110.171 169.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 -86.28 -1.35 57.41 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.732 1.012 . . . . 0.0 113.732 176.105 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.7 mp -102.85 -43.54 9.25 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 C-N-CA 124.766 1.227 . . . . 0.0 111.574 -174.617 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.5 p -125.71 6.17 7.46 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 115.168 1.544 . . . . 0.0 115.168 -178.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 67.07 14.08 9.69 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 116.05 1.87 . . . . 0.0 116.05 169.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 89.4 mtt-85 -71.09 163.82 26.83 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.853 1.261 . . . . 0.0 112.105 170.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -136.98 153.18 50.75 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.692 1.197 . . . . 0.0 113.165 -177.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 49.6 m-85 -137.65 153.46 49.85 Favored 'General case' 0 C--O 1.235 0.342 0 C-N-CA 125.485 1.514 . . . . 0.0 112.283 -172.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.6 tppp? -74.24 -39.33 63.13 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 123.697 0.799 . . . . 0.0 112.736 -176.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -124.42 160.62 27.78 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 125.057 1.343 . . . . 0.0 111.496 178.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -65.18 -33.34 75.78 Favored 'General case' 0 N--CA 1.468 0.464 0 C-N-CA 123.607 0.763 . . . . 0.0 111.681 -178.262 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 36.1 tp -59.23 -49.4 77.99 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.413 1.085 . . . . 0.0 111.519 174.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -62.38 -35.32 78.81 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 124.61 1.164 . . . . 0.0 112.54 -179.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -72.37 -44.39 62.63 Favored 'General case' 0 N--CA 1.47 0.527 0 C-N-CA 123.585 0.754 . . . . 0.0 111.612 172.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -61.25 -44.17 97.68 Favored 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 123.449 0.7 . . . . 0.0 111.747 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -69.4 -23.77 63.76 Favored 'General case' 0 N--CA 1.473 0.71 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 176.092 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -74.08 -37.45 64.19 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-O 118.779 -0.629 . . . . 0.0 112.186 168.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 22.3 mtp -61.22 -20.22 62.55 Favored 'General case' 0 N--CA 1.477 0.889 0 CA-C-N 120.878 1.672 . . . . 0.0 113.35 179.146 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.5 mt -57.13 -29.69 63.78 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.788 1.235 . . . . 0.0 113.036 171.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 m -70.46 -20.43 22.52 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 118.99 0.814 . . . . 0.0 112.718 178.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 75.5 m-70 -101.88 -5.94 24.14 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.44 1.896 . . . . 0.0 113.747 179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -71.16 107.94 2.33 Favored Glycine 0 CA--C 1.533 1.173 0 C-N-CA 124.438 1.018 . . . . 0.0 113.246 -175.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -86.95 -33.39 19.68 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.3 1.04 . . . . 0.0 113.295 -178.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.9 mttp -129.47 -5.83 4.74 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.761 1.624 . . . . 0.0 114.398 -174.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 75.5 m95 . . . . . 0 C--O 1.253 1.263 0 C-N-CA 126.395 1.878 . . . . 0.0 112.262 -169.997 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.549 0 N-CA-C 111.935 -0.466 . . . . 0.0 111.935 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.1 m -68.9 153.86 43.05 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.614 1.166 . . . . 0.0 113.199 -179.474 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.3 m -66.58 152.48 45.2 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.629 1.172 . . . . 0.0 112.813 176.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.34 -145.93 43.34 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 123.972 0.796 . . . . 0.0 113.206 -177.509 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 62.4 m -131.91 142.93 49.8 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 125.109 1.364 . . . . 0.0 111.881 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.3 m -73.3 153.22 40.65 Favored 'General case' 0 N--CA 1.473 0.697 0 C-N-CA 124.473 1.109 . . . . 0.0 112.551 177.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -73.86 96.29 0.85 Allowed Glycine 0 N--CA 1.468 0.778 0 C-N-CA 123.943 0.782 . . . . 0.0 112.056 174.557 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.0 mt -127.65 130.1 48.35 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 125.692 1.597 . . . . 0.0 109.237 -176.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 91.2 mt -116.77 -24.89 7.51 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 114.64 1.348 . . . . 0.0 114.64 -168.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.7 m-85 -121.57 141.98 50.55 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 124.961 1.304 . . . . 0.0 111.344 -173.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.1 p-10 -127.22 144.67 50.99 Favored 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 113.921 1.082 . . . . 0.0 113.921 -172.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.1 t -81.03 130.17 34.89 Favored 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.922 1.689 . . . . 0.0 110.269 169.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 34.3 p80 -92.1 5.71 49.25 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 176.598 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 15.2 mm -105.87 -43.74 7.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.775 0 C-N-CA 124.661 1.184 . . . . 0.0 111.425 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 19.1 p -130.49 10.98 5.28 Favored 'General case' 0 N--CA 1.473 0.679 0 N-CA-C 115.484 1.661 . . . . 0.0 115.484 -174.752 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 63.64 12.96 6.96 Favored 'General case' 0 CA--C 1.548 0.902 0 N-CA-C 115.439 1.644 . . . . 0.0 115.439 169.327 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.6 mtt85 -70.42 162.92 27.77 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 125.154 1.382 . . . . 0.0 112.271 169.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 58.3 mtmt -140.13 150.75 44.64 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.72 1.208 . . . . 0.0 113.439 -174.329 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 77.9 m-85 -138.73 159.33 42.37 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 125.702 1.601 . . . . 0.0 113.681 -168.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 95.2 mttt -73.2 -37.96 66.27 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.168 0.987 . . . . 0.0 113.29 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 40.8 m-80 -124.06 158.95 31.0 Favored 'General case' 0 N--CA 1.466 0.33 0 C-N-CA 125.256 1.422 . . . . 0.0 111.688 -175.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -62.58 -40.13 95.89 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.12 174.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.1 tp -57.82 -51.51 69.29 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.279 1.432 . . . . 0.0 111.852 175.456 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.0 m-20 -63.98 -33.03 74.81 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.951 0.723 . . . . 0.0 112.951 -176.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -71.68 -45.14 62.81 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 123.023 0.529 . . . . 0.0 111.073 170.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -62.35 -40.31 95.99 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 123.648 0.779 . . . . 0.0 112.801 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ptp85 -69.79 -23.04 63.29 Favored 'General case' 0 N--CA 1.48 1.046 0 N-CA-C 113.797 1.036 . . . . 0.0 113.797 173.168 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.2 t60 -75.0 -34.69 61.98 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.451 0.701 . . . . 0.0 112.158 169.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 85.9 mmm -58.81 -22.36 58.33 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 121.063 1.756 . . . . 0.0 113.131 175.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 70.0 mt -59.01 -27.59 65.58 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 124.73 1.212 . . . . 0.0 113.183 174.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m -71.02 -24.39 24.42 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.036 0 CA-C-N 118.77 0.714 . . . . 0.0 112.274 176.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -95.46 -26.52 15.81 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 125.979 1.712 . . . . 0.0 112.81 176.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.15 -13.46 35.23 Favored Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.552 1.549 . . . . 0.0 116.383 -172.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -70.56 -26.25 63.46 Favored 'General case' 0 CA--C 1.548 0.871 0 CA-C-N 118.547 1.173 . . . . 0.0 112.915 170.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 46.0 mmtm -117.11 -26.99 6.63 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 125.742 1.617 . . . . 0.0 114.181 -177.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 91.1 m95 . . . . . 0 C--O 1.252 1.205 0 C-N-CA 125.776 1.631 . . . . 0.0 112.658 -173.988 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.642 0 N-CA-C 111.931 -0.467 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 t -72.66 145.63 47.11 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 124.014 0.926 . . . . 0.0 112.652 178.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.9 p -73.83 -14.73 61.14 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 124.632 1.173 . . . . 0.0 113.33 170.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -77.02 3.2 58.27 Favored Glycine 0 CA--C 1.539 1.561 0 C-N-CA 125.302 1.43 . . . . 0.0 115.248 177.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p -68.7 -30.23 68.84 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-N 118.935 1.367 . . . . 0.0 114.236 -176.741 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 81.1 p -115.57 -18.82 10.82 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 125.433 1.493 . . . . 0.0 114.413 -179.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -81.73 176.86 54.09 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.733 1.159 . . . . 0.0 114.559 178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.5 mt -119.26 132.51 55.92 Favored 'General case' 0 N--CA 1.47 0.531 0 C-N-CA 125.555 1.542 . . . . 0.0 109.148 169.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -110.46 -28.88 8.33 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 124.686 1.194 . . . . 0.0 113.645 -168.237 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 84.2 m-85 -120.24 144.72 47.6 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 124.785 1.234 . . . . 0.0 111.628 -172.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -129.15 141.99 51.01 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 124.285 1.034 . . . . 0.0 113.31 -175.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 42.4 t -83.79 120.65 26.3 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.85 1.66 . . . . 0.0 109.945 169.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.1 p80 -80.29 3.38 21.14 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 114.042 1.127 . . . . 0.0 114.042 -179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.7 mm -99.01 -41.02 9.55 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.625 1.17 . . . . 0.0 111.755 -178.679 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 20.7 p -134.15 1.13 3.2 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 125.498 1.519 . . . . 0.0 114.772 -170.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 69.04 8.41 6.82 Favored 'General case' 0 CA--C 1.545 0.786 0 N-CA-C 115.73 1.752 . . . . 0.0 115.73 175.266 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 -65.85 154.28 39.63 Favored 'General case' 0 N--CA 1.477 0.883 0 O-C-N 121.283 -0.886 . . . . 0.0 111.496 169.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 30.9 mtmm -137.07 150.94 48.37 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.551 1.14 . . . . 0.0 113.139 -170.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -139.87 162.38 35.31 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.895 1.278 . . . . 0.0 114.302 -167.47 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.05 -43.17 45.12 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.617 1.167 . . . . 0.0 112.726 -176.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.4 p30 -125.4 161.33 27.29 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 125.425 1.49 . . . . 0.0 111.225 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -62.22 -38.39 89.01 Favored 'General case' 0 N--CA 1.467 0.399 0 C-N-CA 124.092 0.957 . . . . 0.0 110.769 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 47.5 tp -56.75 -50.91 70.84 Favored 'General case' 0 CA--C 1.537 0.46 0 C-N-CA 125.225 1.41 . . . . 0.0 111.982 176.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -61.28 -36.75 80.93 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.695 1.198 . . . . 0.0 112.652 -178.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -72.48 -44.29 62.49 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.62 0.768 . . . . 0.0 111.114 174.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -62.86 -41.35 99.34 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.989 0.916 . . . . 0.0 112.245 -178.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 27.2 ptt180 -71.28 -23.91 62.06 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 174.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -73.08 -36.19 66.78 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 118.869 -0.586 . . . . 0.0 111.733 168.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 7.5 mtp -59.26 -21.08 59.06 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 120.889 1.677 . . . . 0.0 113.557 177.622 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.7 mt -58.72 -29.0 66.35 Favored 'General case' 0 CA--C 1.543 0.71 0 C-N-CA 124.702 1.201 . . . . 0.0 113.17 172.141 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.2 m -68.68 -21.21 25.76 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.16 0 CA-C-N 119.152 0.887 . . . . 0.0 112.654 178.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 44.6 m-70 -101.5 6.59 42.39 Favored 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 126.64 1.976 . . . . 0.0 112.994 174.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -68.49 -172.67 7.43 Favored Glycine 0 CA--C 1.537 1.437 0 C-N-CA 125.884 1.707 . . . . 0.0 116.17 -172.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -77.42 40.53 0.29 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 126.92 2.088 . . . . 0.0 114.651 -169.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 57.5 tptt -65.01 -30.52 71.52 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 126.334 1.853 . . . . 0.0 113.417 -179.295 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 65.6 m95 . . . . . 0 C--O 1.252 1.232 0 C-N-CA 125.936 1.695 . . . . 0.0 112.612 -172.224 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.536 0 N-CA-C 111.381 -0.688 . . . . 0.0 111.381 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.0 m -82.27 -9.73 59.38 Favored 'General case' 0 N--CA 1.48 1.031 0 N-CA-C 114.838 1.422 . . . . 0.0 114.838 -174.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.8 m -65.32 144.26 57.23 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.852 1.261 . . . . 0.0 113.281 -176.478 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.62 177.91 44.11 Favored Glycine 0 CA--C 1.535 1.285 0 C-N-CA 124.849 1.214 . . . . 0.0 113.258 179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.4 m -79.57 -15.28 57.95 Favored 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 -177.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.9 p -83.65 161.01 21.23 Favored 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 125.659 1.583 . . . . 0.0 113.38 179.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.33 173.71 46.46 Favored Glycine 0 CA--C 1.53 1.016 0 C-N-CA 124.526 1.06 . . . . 0.0 113.576 178.497 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 78.4 mt -91.1 133.36 35.4 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.326 1.05 . . . . 0.0 110.028 174.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.1 mt -129.42 -24.61 2.77 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 124.961 1.304 . . . . 0.0 114.421 -169.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -120.72 143.07 48.96 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 125.08 1.352 . . . . 0.0 111.259 -174.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -129.94 142.68 50.61 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 114.035 1.124 . . . . 0.0 114.035 -171.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 41.7 t -77.78 132.49 38.1 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 125.999 1.719 . . . . 0.0 110.929 169.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -92.12 3.58 55.0 Favored 'General case' 0 CA--C 1.546 0.794 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 175.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 21.1 mm -103.54 -43.42 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.893 0 C-N-CA 124.679 1.191 . . . . 0.0 111.717 178.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.9 p -134.36 5.17 3.47 Favored 'General case' 0 CA--C 1.542 0.672 0 N-CA-C 115.223 1.564 . . . . 0.0 115.223 -171.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 67.73 8.62 6.52 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 115.983 1.846 . . . . 0.0 115.983 170.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.3 mtm180 -62.76 152.45 35.76 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.484 1.113 . . . . 0.0 111.7 169.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.9 mtmm -135.46 150.87 49.94 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 124.181 0.992 . . . . 0.0 112.866 -172.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 75.3 m-85 -139.68 160.14 40.56 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 125.056 1.342 . . . . 0.0 113.952 -167.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.2 mtpt -76.15 -35.26 59.27 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 124.639 1.176 . . . . 0.0 113.783 -176.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -131.81 161.29 33.27 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 125.046 1.339 . . . . 0.0 111.098 178.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -61.4 -38.3 86.57 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 124.192 0.997 . . . . 0.0 110.883 -178.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 38.8 tp -56.99 -52.67 64.34 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 125.111 1.364 . . . . 0.0 111.91 176.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -61.86 -32.28 72.62 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.634 1.174 . . . . 0.0 112.794 -177.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -76.05 -44.07 40.85 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.788 0.835 . . . . 0.0 111.493 172.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -62.62 -39.58 94.25 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 123.752 0.821 . . . . 0.0 111.956 -178.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.1 ptt85 -72.4 -23.8 61.15 Favored 'General case' 0 N--CA 1.477 0.893 0 N-CA-C 114.018 1.118 . . . . 0.0 114.018 172.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -70.15 -33.49 71.85 Favored 'General case' 0 CA--C 1.54 0.579 0 CA-C-N 118.964 0.802 . . . . 0.0 112.243 169.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 70.1 mmm -58.91 -21.94 58.66 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 120.856 1.662 . . . . 0.0 113.321 176.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.8 mt -61.65 -26.34 67.95 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.915 1.286 . . . . 0.0 113.405 174.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 2.7 m -70.5 -25.07 26.15 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.089 0 CA-C-N 118.856 0.753 . . . . 0.0 112.178 176.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -89.51 -43.04 11.1 Favored 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 125.333 1.453 . . . . 0.0 111.39 175.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 52.36 -129.11 36.32 Favored Glycine 0 CA--C 1.536 1.35 0 C-N-CA 124.997 1.284 . . . . 0.0 114.124 169.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 21.4 t0 -92.71 20.12 6.78 Favored 'General case' 0 CA--C 1.552 1.05 0 C-N-CA 125.45 1.5 . . . . 0.0 113.241 178.209 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 39.6 tptt 67.24 -29.95 0.15 Allowed 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 130.598 3.559 . . . . 0.0 117.527 177.245 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 61.7 p-90 . . . . . 0 C--O 1.253 1.278 0 CA-C-N 119.898 1.226 . . . . 0.0 113.26 171.816 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.627 0 N-CA-C 110.588 -1.005 . . . . 0.0 110.588 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -65.72 -23.36 66.74 Favored 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.848 0.859 . . . . 0.0 112.844 172.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.1 p -134.98 167.39 21.02 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 127.108 2.163 . . . . 0.0 111.033 169.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.72 156.51 13.96 Favored Glycine 0 CA--C 1.538 1.514 0 C-N-CA 124.927 1.251 . . . . 0.0 114.542 -178.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.4 p -102.42 -5.57 23.95 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.643 1.577 . . . . 0.0 114.712 -175.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -147.24 169.59 19.06 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 125.647 1.579 . . . . 0.0 111.809 -177.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -173.07 -177.15 42.12 Favored Glycine 0 CA--C 1.532 1.101 0 C-N-CA 124.841 1.21 . . . . 0.0 114.2 -178.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 87.2 mt -78.37 129.74 35.33 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 124.408 1.083 . . . . 0.0 109.659 176.375 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 89.1 mt -94.72 -27.42 15.84 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 -168.388 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 75.3 m-85 -121.11 151.99 39.23 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.756 1.222 . . . . 0.0 111.952 -173.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -136.94 144.95 43.68 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.135 0.974 . . . . 0.0 113.557 -174.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -82.13 127.83 33.52 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.87 1.668 . . . . 0.0 109.724 169.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 33.7 p80 -90.97 9.55 30.17 Favored 'General case' 0 CA--C 1.545 0.774 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 176.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.7 mm -108.21 -41.8 5.46 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 C-N-CA 124.791 1.237 . . . . 0.0 111.409 179.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 18.5 p -133.86 12.6 4.0 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 115.485 1.661 . . . . 0.0 115.485 -174.448 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 64.06 9.7 4.85 Favored 'General case' 0 CA--C 1.55 0.951 0 N-CA-C 115.93 1.826 . . . . 0.0 115.93 169.453 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -66.76 157.34 33.08 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.121 1.369 . . . . 0.0 112.417 169.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 57.9 mtmt -134.52 152.16 51.6 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.721 1.208 . . . . 0.0 112.553 -176.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 89.4 m-85 -140.55 159.88 41.23 Favored 'General case' 0 C--O 1.235 0.328 0 C-N-CA 124.677 1.191 . . . . 0.0 113.969 -169.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -77.46 -42.13 37.05 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.567 1.147 . . . . 0.0 113.4 -175.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -124.55 160.6 28.0 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.732 1.213 . . . . 0.0 111.931 174.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -61.45 -38.94 89.03 Favored 'General case' 0 N--CA 1.466 0.349 0 C-N-CA 124.784 1.234 . . . . 0.0 110.594 -178.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 39.8 tp -55.97 -50.55 70.5 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.035 1.334 . . . . 0.0 111.671 175.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -63.58 -33.57 75.89 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-N 119.061 0.846 . . . . 0.0 112.493 -175.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.3 tmm_? -74.24 -43.65 56.17 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.375 1.07 . . . . 0.0 111.525 173.089 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -63.49 -41.67 98.56 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 123.709 0.804 . . . . 0.0 112.048 -178.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 34.7 ptt180 -69.39 -23.22 63.69 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.66 0.985 . . . . 0.0 113.66 173.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 46.6 t60 -74.53 -35.92 63.16 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 123.646 0.778 . . . . 0.0 112.089 169.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 4.3 mtp -60.37 -20.3 58.95 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 120.933 1.697 . . . . 0.0 113.529 177.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.1 mt -58.81 -30.88 67.95 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.614 1.166 . . . . 0.0 112.821 171.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.1 m -68.91 -23.31 27.23 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.149 0 CA-C-N 119.229 0.922 . . . . 0.0 112.675 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 54.9 m-70 -90.98 -4.08 56.75 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 125.674 1.589 . . . . 0.0 113.056 175.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 95.27 6.75 59.84 Favored Glycine 0 CA--C 1.535 1.304 0 C-N-CA 125.263 1.411 . . . . 0.0 115.142 177.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 29.3 m-20 -79.91 43.44 0.6 Allowed 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.244 1.522 . . . . 0.0 112.855 178.508 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.7 pttp -93.55 -4.28 51.25 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 126.834 2.054 . . . . 0.0 115.084 -174.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 33.1 p-90 . . . . . 0 C--O 1.253 1.268 0 C-N-CA 126.797 2.039 . . . . 0.0 112.966 -173.592 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.579 0 N-CA-C 111.686 -0.566 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t 63.1 153.8 0.04 OUTLIER 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 126.969 2.107 . . . . 0.0 115.398 -172.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.6 m -82.69 -10.97 58.68 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.982 1.313 . . . . 0.0 112.932 170.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 149.3 -15.51 1.13 Allowed Glycine 0 CA--C 1.536 1.388 0 C-N-CA 124.859 1.218 . . . . 0.0 115.45 175.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.4 t -76.81 145.03 38.72 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 118.793 1.296 . . . . 0.0 112.109 177.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 p -77.41 138.7 39.44 Favored 'General case' 0 N--CA 1.47 0.548 0 C-N-CA 124.585 1.154 . . . . 0.0 112.896 -179.407 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.64 173.2 50.98 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.665 1.126 . . . . 0.0 114.59 179.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 83.8 mt -82.83 137.0 34.46 Favored 'General case' 0 CA--C 1.533 0.318 0 C-N-CA 124.272 1.029 . . . . 0.0 109.544 169.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 82.7 mt -126.32 -23.88 3.76 Favored 'General case' 0 CA--C 1.54 0.587 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -170.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 78.2 m-85 -122.82 143.54 49.78 Favored 'General case' 0 N--CA 1.469 0.496 0 C-N-CA 125.241 1.417 . . . . 0.0 111.415 -175.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -131.56 144.59 51.21 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 124.458 1.103 . . . . 0.0 113.38 -174.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 44.3 t -79.46 126.32 30.7 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.566 1.546 . . . . 0.0 110.505 172.195 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.2 p-80 -86.11 4.27 39.01 Favored 'General case' 0 CA--C 1.544 0.745 0 N-CA-C 113.811 1.041 . . . . 0.0 113.811 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.8 mm -104.11 -45.56 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.86 0 C-N-CA 124.575 1.15 . . . . 0.0 111.457 177.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 16.7 p -133.01 11.29 4.26 Favored 'General case' 0 N--CA 1.472 0.658 0 N-CA-C 115.714 1.746 . . . . 0.0 115.714 -171.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 65.27 3.47 2.27 Favored 'General case' 0 CA--C 1.546 0.805 0 N-CA-C 116.403 2.001 . . . . 0.0 116.403 169.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.6 mtm180 -60.35 154.93 19.07 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 126.112 1.765 . . . . 0.0 112.373 169.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.4 mttp -139.16 151.27 46.49 Favored 'General case' 0 N--CA 1.474 0.775 0 N-CA-C 114.42 1.267 . . . . 0.0 114.42 -169.36 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 64.5 m-85 -142.54 159.25 42.61 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.829 1.252 . . . . 0.0 113.443 -168.281 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 82.4 mttt -80.25 -32.6 38.29 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 114.393 1.257 . . . . 0.0 114.393 -178.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -126.99 158.34 37.16 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.21 1.004 . . . . 0.0 111.283 177.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -61.01 -38.21 85.27 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 124.177 0.991 . . . . 0.0 110.643 -178.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.0 tp -56.4 -52.65 63.84 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 125.103 1.361 . . . . 0.0 111.889 176.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.0 m-20 -61.59 -32.54 72.65 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 124.605 1.162 . . . . 0.0 112.846 -177.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.4 tmm_? -77.18 -43.2 34.66 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.88 0.872 . . . . 0.0 111.513 173.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -63.66 -40.42 96.8 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.832 0.853 . . . . 0.0 111.951 -178.313 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 51.3 ptt85 -70.57 -25.13 62.94 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 113.612 0.967 . . . . 0.0 113.612 173.753 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -72.2 -36.34 69.17 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 123.333 0.653 . . . . 0.0 111.768 169.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 3.1 mtp -59.92 -20.84 59.67 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.225 -1.547 . . . . 0.0 113.489 177.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.4 mt -59.92 -30.79 69.28 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 124.598 1.159 . . . . 0.0 112.997 172.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.3 m -66.3 -25.19 34.91 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.129 0 CA-C-N 119.089 0.858 . . . . 0.0 112.349 -179.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 61.7 m-70 -84.31 -10.34 57.7 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 125.07 1.348 . . . . 0.0 113.136 178.312 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.75 -9.47 82.88 Favored Glycine 0 CA--C 1.539 1.566 0 C-N-CA 124.767 1.175 . . . . 0.0 114.266 170.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -81.41 33.97 0.37 Allowed 'General case' 0 CA--C 1.551 1.018 0 C-N-CA 126.126 1.77 . . . . 0.0 113.937 -172.747 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -79.31 -17.88 53.72 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.576 1.551 . . . . 0.0 114.149 -175.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 62.8 p-90 . . . . . 0 C--O 1.253 1.285 0 C-N-CA 126.454 1.902 . . . . 0.0 113.759 -177.0 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.537 0 N-CA-C 111.438 -0.665 . . . . 0.0 111.438 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 64.8 p -82.25 -8.73 59.65 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 -176.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 18.4 m -66.21 -26.53 67.43 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 -174.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.25 172.85 25.91 Favored Glycine 0 CA--C 1.534 1.254 0 C-N-CA 124.66 1.124 . . . . 0.0 114.093 177.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.8 m -90.06 8.0 34.85 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 125.36 1.464 . . . . 0.0 114.027 -178.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.3 m -67.42 160.81 26.66 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 125.914 1.686 . . . . 0.0 113.925 -175.633 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 90.59 173.4 44.38 Favored Glycine 0 N--CA 1.47 0.941 0 C-N-CA 124.925 1.25 . . . . 0.0 114.89 178.425 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 79.8 mt -119.74 137.56 53.86 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 125.851 1.66 . . . . 0.0 109.495 174.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 81.2 mt -112.7 -25.14 9.24 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 -169.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -124.14 145.07 49.53 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.841 1.256 . . . . 0.0 111.802 -174.298 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -132.66 145.7 51.28 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.474 1.11 . . . . 0.0 113.748 -173.314 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.3 t -81.22 131.35 35.29 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 126.377 1.871 . . . . 0.0 110.835 173.081 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 11.6 p-80 -89.99 2.46 55.11 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 113.862 1.06 . . . . 0.0 113.862 176.33 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 22.0 mm -102.69 -46.22 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.526 1.13 . . . . 0.0 111.375 177.145 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' CYS . . . . . . . . . . . . . 17.6 p -130.36 9.59 5.18 Favored 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 115.691 1.738 . . . . 0.0 115.691 -172.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 64.78 4.37 2.37 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 115.758 1.762 . . . . 0.0 115.758 170.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 82.2 mtt85 -62.19 159.74 14.25 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.723 1.609 . . . . 0.0 112.172 170.389 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 65.0 mttp -141.43 152.52 44.35 Favored 'General case' 0 N--CA 1.476 0.858 0 N-CA-C 115.03 1.493 . . . . 0.0 115.03 -168.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -141.92 159.29 42.52 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 124.654 1.181 . . . . 0.0 113.986 -168.364 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -78.69 -34.25 46.29 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.501 1.121 . . . . 0.0 113.916 -178.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 7.1 p30 -128.88 159.12 36.79 Favored 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 124.295 1.038 . . . . 0.0 111.207 178.322 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -61.2 -38.57 87.04 Favored 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 124.05 0.94 . . . . 0.0 110.679 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 48.3 tp -56.9 -51.0 70.82 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 125.335 1.454 . . . . 0.0 111.923 176.497 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -62.89 -35.49 80.18 Favored 'General case' 0 N--CA 1.469 0.51 0 C-N-CA 124.345 1.058 . . . . 0.0 112.795 -177.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -72.77 -44.53 61.48 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.158 0.583 . . . . 0.0 111.106 172.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -61.9 -40.4 95.32 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 123.726 0.81 . . . . 0.0 112.409 -178.606 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 25.2 ptt180 -72.85 -23.21 60.72 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 114.009 1.114 . . . . 0.0 114.009 173.352 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . . . . . . . . . 56.4 t60 -70.53 -35.01 72.92 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 118.683 0.674 . . . . 0.0 112.137 169.379 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' MET . . . . . . . . . . . . . 75.0 mmm -58.23 -23.18 54.97 Favored 'General case' 0 N--CA 1.477 0.899 0 CA-C-N 120.859 1.663 . . . . 0.0 113.462 177.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 69.2 mt -60.44 -27.63 67.65 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 124.837 1.255 . . . . 0.0 113.236 174.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 3.0 m -69.09 -22.25 26.0 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 CA-C-N 119.048 0.84 . . . . 0.0 112.676 178.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 60.4 m-70 -92.58 -13.0 30.3 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 125.702 1.601 . . . . 0.0 113.371 178.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.18 153.09 44.52 Favored Glycine 0 CA--C 1.537 1.449 0 C-N-CA 124.542 1.068 . . . . 0.0 113.297 174.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 16.5 p-10 -94.76 -49.1 5.76 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.616 1.166 . . . . 0.0 113.275 -178.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 89.1 tttt -113.42 -24.68 9.17 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 126.603 1.961 . . . . 0.0 113.712 -177.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TRP . . . . . . . . . . . . . 55.4 m95 . . . . . 0 C--O 1.251 1.151 0 C-N-CA 125.746 1.618 . . . . 0.0 112.77 -169.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_