data_5lme_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 5lme _Structure_validation_residue.Date_analyzed 2017-12-15 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 ' 5' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 121.452 0.644 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 m -97.36 -13.24 21.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.019 0.914 . . . . 0.0 108.935 172.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -117.67 141.71 48.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.49 -176.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.404 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 10.0 t -51.76 122.07 7.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.786 -176.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 m -61.6 -25.09 67.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.407 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -83.49 -21.46 32.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.803 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 13.3 m -89.98 129.36 46.42 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.165 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.18 143.93 96.15 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 122.56 2.174 . . . . 0.0 111.615 177.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.5 m -64.16 -17.33 63.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.154 -175.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -79.87 -20.31 46.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.929 0.395 . . . . 0.0 110.734 175.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.4 mm -84.55 -35.74 10.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.753 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 51.7 67.35 0.97 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.028 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 17' ' ' ARG . 5.7 tpp180 -98.86 119.1 37.05 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 174.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -59.37 134.86 57.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.867 0.365 . . . . 0.0 110.179 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.12 104.21 16.81 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.722 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -83.22 -16.87 44.79 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.632 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.28 165.78 16.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.353 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 m -147.65 131.88 17.43 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.853 0.359 . . . . 0.0 110.593 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 37' ' ' ASP . 43.6 t -77.72 121.06 23.51 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.477 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -70.67 -37.2 73.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.195 -168.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -68.31 -35.77 78.3 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.106 0.409 . . . . 0.0 112.106 -174.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.534 ' SG ' ' HB2' ' A' ' 28' ' ' LYS . 30.3 p -112.43 -12.77 13.47 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.566 -177.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 69.08 18.61 8.27 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.281 0.632 . . . . 0.0 111.635 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.534 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 14.2 mptt -83.15 130.52 35.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.96 0.409 . . . . 0.0 109.913 174.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.8 m -82.69 138.97 18.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.361 -178.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.7 pt -138.62 158.14 30.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.362 0.601 . . . . 0.0 111.338 -173.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.498 ' SG ' ' HB3' ' A' ' 33' ' ' GLU . 14.4 p -94.19 142.96 26.81 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 173.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -69.38 -10.98 60.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.404 0.621 . . . . 0.0 110.256 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.498 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 42.8 tt0 -73.62 -19.41 60.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.634 173.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -104.71 -56.66 2.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.608 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.403 ' HB3' ' O ' ' A' ' 38' ' ' MET . 1.8 m120 -143.97 140.74 29.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.618 -176.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.0 mm -87.02 92.3 3.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.69 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.447 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 15.3 t70 74.1 -43.88 0.55 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.608 174.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.403 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 51.2 ttp -106.75 131.42 53.9 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.289 -0.257 . . . . 0.0 110.324 -178.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -81.81 152.9 26.71 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -65.84 -16.35 63.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.692 -174.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -177.842 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.8 mtm-85 . . . . . 0 CA--C 1.528 0.115 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.5 m -108.56 -29.45 8.75 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.582 0.706 . . . . 0.0 109.598 171.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -105.12 143.05 33.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.933 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.4 t -54.5 123.9 14.5 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.784 -177.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.6 m -65.49 -29.45 70.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.234 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -80.99 -20.21 42.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.951 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.1 m -83.92 128.67 62.07 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -51.63 153.5 10.81 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.986 2.457 . . . . 0.0 111.52 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.0 m -64.3 -23.46 67.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.217 -171.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -84.1 -12.01 55.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.119 0.485 . . . . 0.0 110.564 175.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.2 mm -101.95 78.43 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.6 mtm180 -75.97 85.05 2.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.685 -174.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -115.15 126.25 54.39 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.456 173.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -68.02 133.48 49.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.439 -176.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.82 145.05 50.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.195 -177.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -103.0 -37.45 7.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.483 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.9 166.02 19.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.333 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 m -129.91 142.31 50.67 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.316 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.2 t -89.81 107.17 18.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.406 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -64.14 -26.37 68.5 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.855 -170.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -64.34 -40.39 95.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.622 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . 0.404 ' SG ' ' HG2' ' A' ' 28' ' ' LYS . 28.5 p -120.26 -8.19 9.7 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -173.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.2 mttt 66.08 31.58 8.82 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.134 0.574 . . . . 0.0 111.6 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HG2' ' SG ' ' A' ' 26' ' ' CYS . 34.6 mmtp -99.15 148.46 24.06 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.4 m -105.07 146.98 11.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 120.938 0.399 . . . . 0.0 110.97 -175.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.456 HD11 ' HA ' ' A' ' 35' ' ' ASN . 2.9 pt -138.18 150.25 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.12 0.486 . . . . 0.0 111.755 -172.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.6 p -89.6 170.71 10.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.406 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.574 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 26.3 mmm180 -59.06 -26.55 64.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.943 0.401 . . . . 0.0 111.594 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -83.39 -11.32 57.72 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.92 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -131.71 22.85 4.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.558 -176.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.574 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -116.99 140.06 49.92 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -178.166 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.3 pt -127.59 34.83 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 114.72 -1.127 . . . . 0.0 108.209 167.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 59.39 26.41 15.3 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.264 -169.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 48.4 ttm -179.58 157.96 0.79 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 -176.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.94 148.03 23.88 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.594 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -58.79 -26.15 63.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.385 -172.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.4 t . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.267 -179.342 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 . . . . . 0 N--CA 1.462 0.157 0 CA-C-O 121.12 0.486 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.408 HG21 ' HG3' ' A' ' 18' ' ' LYS . 32.8 m -66.28 -27.73 68.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.597 174.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -108.65 142.14 39.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.994 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 4.1 t -57.32 127.57 32.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.198 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.0 m -64.38 -28.2 69.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.324 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -80.42 -18.71 48.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.047 0.451 . . . . 0.0 110.528 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.4 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 15.1 m -94.81 142.95 25.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.477 177.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -67.23 135.12 35.93 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.116 1.877 . . . . 0.0 110.48 171.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.0 m -58.56 -26.97 64.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.717 -176.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -72.78 -14.32 61.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 111.098 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.1 mm -82.85 -21.38 9.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.541 0.686 . . . . 0.0 109.959 176.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 59.52 34.26 22.43 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.459 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.41 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 4.7 tpm_? -85.37 103.41 14.25 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.408 ' HG3' HG21 ' A' ' 6' ' ' THR . 0.0 OUTLIER -63.56 144.23 57.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.536 -177.203 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.56 100.16 12.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.164 -178.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -84.21 0.52 48.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.924 0.392 . . . . 0.0 110.741 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.62 163.85 28.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.909 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.9 p -147.94 125.52 11.75 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.847 0.355 . . . . 0.0 110.919 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -74.03 100.01 3.47 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.636 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -69.15 -13.69 62.56 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.652 -174.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -73.15 -34.24 65.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.067 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 29.6 p -126.98 -3.42 6.43 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.953 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 67.98 36.64 3.29 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.152 0.581 . . . . 0.0 111.66 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.9 mttp -111.58 134.65 53.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.554 174.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.5 m -84.36 144.69 9.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.068 -174.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.464 HD11 ' O ' ' A' ' 37' ' ' ASP . 9.7 pt -141.67 155.21 20.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.258 0.551 . . . . 0.0 111.42 -174.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.4 p -93.44 144.96 24.86 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 174.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -71.32 -2.6 16.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.937 0.399 . . . . 0.0 111.153 -176.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -83.13 -25.79 31.58 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 172.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -95.22 -61.73 1.43 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.013 177.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -134.94 136.1 42.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.562 -177.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.1 tp -69.39 -30.34 45.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.784 -171.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.464 ' O ' HD11 ' A' ' 30' ' ' ILE . 31.4 t70 -164.96 -52.03 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 111.273 -177.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.8 mmt -101.9 143.01 32.32 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 174.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.9 p -76.83 155.69 32.8 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.44 -20.56 66.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.682 -175.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.8 t . . . . . 0 C--N 1.326 -0.422 0 CA-C-O 120.658 0.266 . . . . 0.0 110.727 179.445 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 121.377 0.608 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.8 m -106.1 -16.48 14.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.097 0.951 . . . . 0.0 109.006 173.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -107.24 141.82 37.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.041 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.9 t -53.26 124.77 15.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.788 -175.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.0 m -70.68 -27.43 64.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.61 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -77.77 -19.88 54.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.144 0.497 . . . . 0.0 110.526 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.3 m -88.6 139.48 29.71 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.115 175.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -62.66 141.21 84.81 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.502 2.135 . . . . 0.0 111.282 175.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 m -60.55 -23.74 64.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.013 -175.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -75.2 -18.48 60.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.804 0.335 . . . . 0.0 111.246 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.3 mm -81.45 -32.3 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 54.26 52.97 11.64 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.483 0.658 . . . . 0.0 111.025 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.4 tpt85 -92.26 116.41 28.94 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.669 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -59.51 142.08 53.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.444 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.31 140.24 29.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.366 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -112.28 -12.48 13.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.322 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.22 170.27 16.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.841 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.1 m -144.04 131.26 20.73 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.777 0.323 . . . . 0.0 110.639 -178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.9 t -79.75 100.92 8.16 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 176.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -56.66 -30.74 63.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.965 -174.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -69.04 -31.36 70.08 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -174.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.1 p -125.92 -3.84 7.02 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.712 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.478 ' HZ3' ' HB3' ' A' ' 27' ' ' LYS . 3.9 mmmp? 66.65 28.59 9.12 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.108 0.563 . . . . 0.0 111.852 178.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -97.72 136.4 38.12 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 173.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.6 m -96.7 147.14 6.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.954 0.407 . . . . 0.0 111.234 -175.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.457 HD11 ' HA ' ' A' ' 35' ' ' ASN . 2.5 pt -138.7 151.79 24.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.759 -172.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.1 p -91.86 168.54 11.36 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.481 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.581 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 29.4 mmm180 -54.86 -36.43 65.08 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 111.791 -179.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -75.61 -13.29 60.33 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.015 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -126.79 13.69 7.43 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -175.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.581 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -109.45 140.8 42.74 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -174.015 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.2 pt -128.52 34.06 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 163.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 70.72 -51.03 0.67 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 113.698 -1.592 . . . . 0.0 110.222 -170.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 50.9 ttp -90.87 165.36 13.65 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 172.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 p -94.96 153.16 17.79 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -71.59 -8.35 53.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.294 -174.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.2 m . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.764 177.109 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.525 ' HA ' ' NE ' ' A' ' 5' ' ' ARG . 3.3 mmp_? . . . . . 0 N--CA 1.45 -0.474 0 CA-C-O 121.354 0.597 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.4 m -85.94 -24.45 26.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.177 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -106.6 146.14 31.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.956 -175.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.2 t -55.49 125.06 19.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.659 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.9 m -67.26 -23.31 65.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.362 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -86.11 -18.46 32.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.785 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.7 m -84.5 133.55 44.24 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.721 175.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.85 143.79 95.02 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.934 2.423 . . . . 0.0 111.391 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -65.19 -16.33 63.41 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -176.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -73.24 -15.66 61.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.184 0.516 . . . . 0.0 109.996 173.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.8 mt -117.78 88.04 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.371 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.18 75.8 0.97 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.19 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -99.86 127.74 46.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.33 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.57 140.32 57.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.761 -174.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.41 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -83.25 102.72 12.12 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.59 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -81.39 7.01 12.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.312 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.54 169.51 24.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.965 0.412 . . . . 0.0 110.745 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.453 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 45.5 t -143.52 129.3 19.36 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.883 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.63 ' HA ' ' O ' ' A' ' 37' ' ' ASP . 51.1 t -75.41 115.61 15.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.04 -178.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -67.59 -28.04 67.43 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -170.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -73.99 -36.29 64.5 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.846 -174.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.8 p -115.94 -7.58 11.97 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.527 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.1 mttt 65.82 24.99 11.33 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.689 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -96.15 131.84 42.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.002 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.453 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 35.6 m -77.31 144.52 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.307 -178.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.4 pt -144.02 161.84 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.045 -175.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.404 ' SG ' ' HB2' ' A' ' 34' ' ' HIS . 14.9 p -97.21 143.57 27.87 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 172.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.46 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 74.3 mtm180 -73.31 -7.17 50.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.855 0.359 . . . . 0.0 111.067 -174.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -84.65 -13.02 52.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.066 0.46 . . . . 0.0 110.148 172.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.404 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -98.47 -57.49 2.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.518 172.861 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.46 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 9.3 m120 -141.48 140.25 33.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.925 -178.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.402 ' C ' ' H ' ' A' ' 38' ' ' MET . 45.6 mm -86.27 86.81 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.749 0.309 . . . . 0.0 110.786 -177.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.63 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 14.8 m-20 71.55 -34.42 0.3 Allowed 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.697 175.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.436 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 94.3 mmm -116.73 129.82 56.35 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.61 150.9 27.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.262 0.553 . . . . 0.0 110.486 -173.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -60.85 -26.43 67.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.364 -172.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 C--N 1.327 -0.384 0 CA-C-O 121.076 0.465 . . . . 0.0 110.721 179.322 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 121.041 0.448 . . . . 0.0 111.657 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 m -105.56 -17.23 14.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.011 0.91 . . . . 0.0 109.083 171.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -106.99 144.15 34.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.802 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 31' ' ' CYS . 18.8 t -52.57 125.95 18.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.018 -176.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.0 m -68.09 -23.29 64.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.583 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.608 ' CE2' ' HB2' ' A' ' 39' ' ' CYS . 29.5 m-85 -97.04 4.47 51.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.977 0.418 . . . . 0.0 111.377 -178.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 m -111.25 132.29 21.82 Favored Pre-proline 0 C--N 1.315 -0.915 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.318 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.42 149.02 77.15 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 123.01 2.473 . . . . 0.0 112.306 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.0 m -68.01 -11.22 58.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.08 -176.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -86.78 -13.72 44.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.028 0.442 . . . . 0.0 110.85 173.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.1 mm -97.47 -47.83 12.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.01 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 53.19 77.11 0.18 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.589 176.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.0 mmm180 -97.57 120.67 38.36 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 173.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.06 128.72 38.23 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.442 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -76.63 107.24 8.79 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.902 0.382 . . . . 0.0 111.173 -176.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.442 ' N ' HD21 ' A' ' 20' ' ' ASN . 0.9 OUTLIER -90.86 -7.38 52.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.147 0.498 . . . . 0.0 110.341 179.02 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.61 169.05 18.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.737 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.9 p -147.16 149.03 32.18 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.119 0.485 . . . . 0.0 111.076 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.0 t -86.35 95.59 9.7 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.17 -22.43 64.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.837 0.351 . . . . 0.0 111.074 -175.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -62.49 -38.58 90.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.749 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.3 p -128.18 -2.89 5.69 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.659 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 68.81 34.8 3.18 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.569 0.748 . . . . 0.0 112.187 178.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -104.71 133.92 48.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 172.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.442 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 26.7 m -86.8 148.42 4.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -173.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.7 pt -140.05 158.29 26.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 121.25 0.548 . . . . 0.0 111.272 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 24.3 p -90.37 173.92 7.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -175.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.576 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 27.5 mtm180 -69.78 -16.72 63.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.045 0.45 . . . . 0.0 110.941 178.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.491 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 14.0 mp0 -85.67 -10.61 55.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.888 176.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -134.16 28.15 3.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.547 -177.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.576 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -91.19 111.5 23.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 122.02 0.915 . . . . 0.0 112.869 -174.274 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.565 ' HB ' ' O ' ' A' ' 38' ' ' MET . 13.8 mt -113.3 3.54 8.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 168.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.47 22.33 7.91 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 122.559 1.171 . . . . 0.0 108.994 -164.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.565 ' O ' ' HB ' ' A' ' 36' ' ' ILE . 51.5 ttm -168.15 142.03 3.33 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 113.113 -1.858 . . . . 0.0 106.705 -177.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.608 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 7.5 p -87.87 157.31 19.02 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -175.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -66.81 -13.1 61.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.01 -173.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.7 m . . . . . 0 C--N 1.325 -0.473 0 CA-C-O 120.545 0.212 . . . . 0.0 110.866 176.462 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 121.434 0.635 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.6 m -116.42 -21.15 9.38 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.312 173.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -106.35 145.89 31.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.202 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.437 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 35.9 t -52.86 123.95 12.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 123.732 0.645 . . . . 0.0 111.818 -174.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.3 m -68.97 -31.57 70.53 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.766 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -72.23 -26.12 61.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.889 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 23.2 m -90.29 138.38 27.19 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.118 176.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -58.74 138.55 86.37 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.222 1.948 . . . . 0.0 110.29 172.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.9 m -61.47 -20.76 63.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.724 -174.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -72.49 -17.12 61.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.388 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.9 mm -80.66 -21.78 11.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.158 0.504 . . . . 0.0 110.931 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 62.51 33.5 15.96 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.211 176.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -85.16 116.35 23.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.242 -175.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.5 145.59 49.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.445 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -106.27 117.8 34.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.24 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -109.48 17.24 21.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.011 176.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.14 164.35 30.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.615 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.428 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 12.8 p -154.24 132.88 12.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.518 0.199 . . . . 0.0 111.304 -177.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.568 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 43.3 t -75.97 117.95 18.23 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 176.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -70.83 -19.02 62.7 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.951 0.405 . . . . 0.0 110.866 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -99.45 15.15 27.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.758 0.313 . . . . 0.0 111.515 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.6 m -142.81 -22.72 0.65 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.889 174.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 65.2 20.23 11.9 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 123.112 0.565 . . . . 0.0 110.152 -174.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -103.98 141.32 36.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.228 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.428 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 27.7 m -91.35 144.47 9.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.114 0.483 . . . . 0.0 111.242 -175.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.8 pt -136.05 156.23 36.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.299 -178.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 34' ' ' HIS . 18.9 p -86.29 145.75 26.8 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.517 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 84.1 mtm180 -66.35 -15.52 63.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.827 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -77.61 -21.05 52.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.811 175.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.454 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -93.02 -45.1 8.08 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.698 176.211 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.517 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 15.5 t-20 -166.92 155.74 10.32 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 173.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.1 tp -78.55 -20.67 13.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.227 -172.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -168.57 -46.57 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -175.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 65.1 mtt -95.41 156.8 16.17 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.987 0.422 . . . . 0.0 111.618 -172.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.568 ' HB3' ' HB2' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -123.26 137.29 54.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.192 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -90.91 26.96 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.751 -173.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--N 1.321 -0.656 0 CA-C-O 120.922 0.392 . . . . 0.0 110.556 178.271 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.851 0.357 . . . . 0.0 111.448 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.1 m -95.36 -25.68 16.2 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.422 0.629 . . . . 0.0 110.457 175.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -109.56 143.42 39.25 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.847 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.8 t -56.17 128.66 36.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.554 -175.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.5 m -69.27 -26.0 64.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.346 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -88.7 -16.61 31.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.962 0.411 . . . . 0.0 111.242 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.452 ' SG ' ' HD3' ' A' ' 17' ' ' ARG . 12.9 m -84.77 126.5 68.24 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.91 143.87 47.19 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.018 2.479 . . . . 0.0 112.029 -178.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.4 m -63.54 -20.62 65.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.213 -173.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -90.03 -0.09 57.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.932 0.396 . . . . 0.0 111.018 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.4 mm -97.35 -42.81 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.704 174.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 56.56 73.11 0.46 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.245 177.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.452 ' HD3' ' SG ' ' A' ' 11' ' ' CYS . 74.3 ttt180 -111.1 127.46 55.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.997 178.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -57.38 140.5 50.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.078 -178.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.36 141.07 28.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.508 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -116.13 -7.42 11.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.573 -175.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.71 179.74 8.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.796 -178.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.426 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 23.2 t -152.93 143.67 22.82 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.716 0.293 . . . . 0.0 110.263 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.424 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 49.9 t -76.9 111.16 12.14 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 173.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -66.26 -16.6 64.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.396 0.617 . . . . 0.0 110.616 -174.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -82.88 -37.88 23.69 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.48 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.9 m -121.9 1.73 9.9 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -169.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 68.99 1.44 3.17 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 175.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -76.12 128.22 34.54 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.426 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 28.1 m -89.34 142.59 12.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.082 0.468 . . . . 0.0 110.837 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.486 HD11 ' HA ' ' A' ' 35' ' ' ASN . 1.8 pt -138.67 152.51 24.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.431 -171.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.7 p -88.0 166.68 14.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.94 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -66.19 -5.58 10.67 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -177.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -98.29 -22.88 15.89 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.911 0.386 . . . . 0.0 110.344 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -114.28 6.99 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.369 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.486 ' HA ' HD11 ' A' ' 30' ' ' ILE . 23.6 p-10 -99.83 134.3 42.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.708 0.765 . . . . 0.0 111.762 -175.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.7 pt -123.93 34.63 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 114.937 -1.028 . . . . 0.0 108.715 171.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 62.85 17.42 9.93 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.341 -1.3 . . . . 0.0 110.758 -173.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.7 ptp -173.63 177.58 2.48 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 177.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.424 ' HB3' ' HB2' ' A' ' 23' ' ' CYS . 6.6 p -106.47 146.07 31.01 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.319 -177.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -67.5 -10.31 50.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.075 -173.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.326 -0.452 0 CA-C-O 121.051 0.453 . . . . 0.0 110.375 178.206 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 120.84 0.353 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 55.8 m -103.38 -16.12 15.72 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.551 0.691 . . . . 0.0 109.79 174.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -117.98 139.53 51.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.742 -175.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.427 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 12.5 t -54.95 120.62 7.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.723 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.1 m -60.11 -27.81 67.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.66 -177.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -87.44 -16.23 35.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.422 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.427 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 6.8 m -87.71 142.75 32.87 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.211 177.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -64.0 135.35 47.26 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.192 1.928 . . . . 0.0 110.917 174.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 m -61.73 -21.74 64.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.244 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -63.24 -28.74 70.24 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.082 0.468 . . . . 0.0 110.572 174.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.1 mm -78.96 -29.78 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.536 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 58.11 41.74 23.43 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.79 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -80.4 109.79 15.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.393 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -65.82 136.32 56.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.05 177.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.71 128.63 35.62 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.054 -177.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -103.55 0.55 31.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.247 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.67 165.07 25.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.204 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 33.5 p -147.41 135.42 21.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.763 0.316 . . . . 0.0 111.475 -177.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.4 t -84.59 99.33 10.7 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 175.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.5 tptt -55.85 -31.01 62.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.485 -169.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -62.78 -47.67 82.48 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -176.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.5 p -104.56 -8.11 19.24 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.351 -176.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm 70.09 14.99 7.72 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.044 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -87.21 135.79 33.17 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 177.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.42 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 31.0 m -88.24 148.11 4.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.992 -176.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 pt -145.63 162.25 11.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.668 -174.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.4 p -97.81 144.8 27.03 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -67.15 -14.21 62.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.028 0.442 . . . . 0.0 110.86 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -72.67 -20.41 61.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.663 174.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -105.28 -58.91 1.83 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.611 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.453 ' HB3' ' O ' ' A' ' 38' ' ' MET . 15.3 m120 -145.78 138.79 25.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.422 -175.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.3 tt -89.66 79.53 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.767 0.794 . . . . 0.0 111.029 -177.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 61.37 17.16 8.08 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.389 176.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.453 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 22.5 ptm -146.01 115.64 7.22 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -89.1 168.08 12.61 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -177.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -81.5 -1.39 45.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.998 -172.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.8 t . . . . . 0 C--N 1.323 -0.571 0 CA-C-O 121.013 0.435 . . . . 0.0 110.824 -179.361 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 121.42 0.629 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.2 m -103.24 -43.86 5.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.207 176.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -101.19 142.19 32.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.488 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.0 t -47.89 123.23 5.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.889 -178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.2 m -70.16 -19.79 63.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.106 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -86.41 -25.49 25.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.214 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.4 m -79.02 140.83 57.91 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.539 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.79 148.59 91.54 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.66 2.24 . . . . 0.0 111.118 174.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.5 m -62.87 -22.07 66.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 112.079 -174.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -77.07 -20.28 56.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.981 0.42 . . . . 0.0 110.605 175.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.5 mt -107.16 77.47 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.609 0.719 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -72.27 97.72 2.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.454 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -116.47 127.13 54.29 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.02 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -63.86 131.81 48.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.054 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.91 107.18 14.42 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.064 -178.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -95.55 24.64 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.119 0.485 . . . . 0.0 110.368 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.24 158.69 36.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.305 -0.861 . . . . 0.0 108.975 174.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.2 m -155.98 136.98 13.61 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -177.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.0 t -76.93 119.84 21.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 177.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -72.91 -28.36 62.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.296 -168.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -88.01 -36.43 17.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.657 0.265 . . . . 0.0 111.354 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.4 m -95.1 -15.48 23.35 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -175.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 65.65 23.89 11.63 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.842 0.457 . . . . 0.0 112.022 177.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -98.73 131.86 44.55 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.1 m -92.04 140.95 15.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.971 0.415 . . . . 0.0 110.579 -177.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.454 HD11 ' HA ' ' A' ' 35' ' ' ASN . 4.6 pt -137.68 147.94 25.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.026 -173.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.536 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 21.2 p -81.89 163.56 22.18 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -57.22 -36.9 71.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.882 0.373 . . . . 0.0 110.661 -176.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -67.34 -25.08 65.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.268 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -112.67 20.63 16.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.821 0.343 . . . . 0.0 110.324 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.536 ' HB3' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -115.08 140.72 48.83 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -170.715 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.427 ' C ' ' H ' ' A' ' 38' ' ' MET . 26.6 pt -131.39 28.96 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 164.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 t70 72.4 -42.04 0.52 Allowed 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 114.121 -1.4 . . . . 0.0 110.214 -168.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.427 ' H ' ' C ' ' A' ' 36' ' ' ILE . 62.5 mtm -95.09 170.33 9.49 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 172.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.5 p -104.38 146.44 28.83 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.998 0.428 . . . . 0.0 109.892 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -62.64 -19.57 63.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.827 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -178.429 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 121.501 0.667 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.0 m -87.92 -16.73 33.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.3 -0.864 . . . . 0.0 108.788 171.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -117.62 147.32 42.97 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.38 -177.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.8 t -57.68 125.21 21.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.466 -178.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.2 m -66.24 -29.59 69.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.079 -178.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -79.97 -21.31 43.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.7 m -83.61 128.99 61.57 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.85 152.72 48.3 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.825 2.35 . . . . 0.0 112.498 -177.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.8 t -53.57 -44.68 69.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.463 0.171 . . . . 0.0 111.463 -175.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -67.37 -16.29 64.16 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.973 0.416 . . . . 0.0 111.138 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.6 mm -101.48 71.93 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 176.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.577 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -61.93 92.49 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 122.01 0.909 . . . . 0.0 111.081 -178.212 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -119.85 116.64 26.27 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.189 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -62.03 140.51 58.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.804 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.14 125.95 33.22 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.024 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -111.43 11.78 21.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.121 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.23 167.44 28.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.692 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 47.1 p -157.16 131.38 8.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.984 0.421 . . . . 0.0 111.133 -177.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.9 t -84.1 96.92 9.07 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -36.9 61.11 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -170.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -63.33 -34.43 77.68 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -174.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.8 p -111.04 -5.92 14.72 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.954 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 67.21 17.77 10.32 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.043 178.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -89.66 125.37 35.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.05 0.453 . . . . 0.0 110.432 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.409 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 35.6 m -81.57 145.2 9.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.514 -179.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.3 pt -142.9 167.69 14.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.173 0.511 . . . . 0.0 110.913 -175.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.9 p -99.21 146.48 26.13 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.601 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 50.4 mtm180 -69.54 -4.88 20.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 -177.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -84.57 -25.84 28.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.796 174.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -89.39 -35.33 16.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.212 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.601 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 23.4 t-20 -171.52 159.76 5.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.562 172.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.7 tp -60.39 -52.4 61.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -177.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -172.28 32.85 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.633 0.73 . . . . 0.0 110.685 -178.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 54.9 mtt -143.43 147.29 34.37 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.1 p -97.26 173.45 7.21 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.202 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -91.58 -22.65 20.21 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.185 0.517 . . . . 0.0 109.853 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.458 -177.23 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 121.213 0.53 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.1 m -97.7 -23.13 16.08 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.611 0.72 . . . . 0.0 109.564 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -102.85 141.62 35.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.532 -176.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.2 t -55.72 124.24 16.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.772 -176.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.0 m -66.8 -30.44 70.64 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.291 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -81.01 -22.87 39.06 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.428 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.52 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 12.2 m -79.95 132.63 59.93 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 175.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.39 145.43 36.39 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.812 2.341 . . . . 0.0 111.55 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -65.62 -11.98 49.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.475 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -79.09 -18.29 53.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 175.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.0 mm -84.65 -50.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.82 -176.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 55.16 66.07 1.33 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.896 0.379 . . . . 0.0 111.903 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.52 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 7.5 ptp180 -119.51 142.61 48.15 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 174.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 4.0 mppt? -75.03 142.27 43.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.285 -171.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.18 134.47 33.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.058 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -112.92 24.67 12.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.879 0.847 . . . . 0.0 109.509 176.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.82 160.06 38.83 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.416 176.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 44.7 p -146.53 131.65 18.34 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.845 0.355 . . . . 0.0 110.553 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.7 t -80.59 91.22 5.78 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -55.99 -28.72 58.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.089 -177.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -54.11 -40.38 67.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.436 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 29.3 p -126.14 2.68 7.17 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.837 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm 65.01 36.32 7.52 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.03 0.532 . . . . 0.0 112.112 176.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -116.0 135.25 54.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 32.2 m -88.8 142.15 13.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.164 0.507 . . . . 0.0 111.574 -173.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.4 HD11 ' HA ' ' A' ' 35' ' ' ASN . 9.4 pt -138.6 149.86 23.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.812 -175.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.8 p -80.84 162.3 24.06 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -58.67 -36.18 73.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 118.156 0.435 . . . . 0.0 111.307 -174.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -69.95 -22.48 63.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.082 0.468 . . . . 0.0 110.754 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -106.29 16.12 25.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.054 0.454 . . . . 0.0 109.904 177.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.4 ' HA ' HD11 ' A' ' 30' ' ' ILE . 8.9 t30 -114.94 119.82 37.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.489 -177.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.1 pt -111.55 37.4 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 169.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.4 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 23.6 m-20 59.77 33.24 21.72 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.757 -170.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 52.6 tpp 172.05 151.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.537 -1.21 . . . . 0.0 107.837 -172.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.15 152.9 21.66 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -62.51 -18.12 61.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.105 -171.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.326 -0.439 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 -178.92 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 . . . . . 0 CA--C 1.528 0.128 0 CA-C-O 121.413 0.625 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.6 m -119.89 -19.64 7.84 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.447 -0.797 . . . . 0.0 108.887 172.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -115.48 137.66 51.83 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.224 -177.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.5 t -52.1 119.8 4.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.755 -175.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.9 m -65.72 -27.21 68.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.936 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -78.72 -23.97 45.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.98 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.542 ' SG ' ' HD3' ' A' ' 17' ' ' ARG . 13.3 m -80.94 144.39 55.13 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 174.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.418 ' HB2' HG12 ' A' ' 15' ' ' ILE . 33.5 Cg_exo -58.1 134.13 59.99 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.268 1.979 . . . . 0.0 111.306 178.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.8 m -58.47 -27.06 64.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.61 -171.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -79.83 -13.13 59.63 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.298 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.418 HG12 ' HB2' ' A' ' 12' ' ' PRO . 44.2 mm -86.77 -39.87 13.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.398 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 53.1 75.51 0.24 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.336 178.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.542 ' HD3' ' SG ' ' A' ' 11' ' ' CYS . 66.5 mtp180 -100.17 132.27 45.64 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 172.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -64.15 127.96 33.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.988 0.423 . . . . 0.0 110.375 -176.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.77 116.5 28.95 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.924 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -103.9 26.09 9.1 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.48 0.657 . . . . 0.0 109.928 178.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.444 ' HB3' HH11 ' A' ' 32' ' ' ARG . . . -149.7 154.77 39.08 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.787 177.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 p -145.92 128.1 15.71 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.055 0.455 . . . . 0.0 110.688 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 52.2 t -74.85 113.44 12.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.737 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.45 -24.94 67.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.745 -169.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -77.82 -39.89 42.23 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.541 -175.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.7 p -112.29 -8.07 13.96 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.365 -0.534 . . . . 0.0 112.181 -173.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp 66.09 32.31 8.31 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.686 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -104.35 138.49 40.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 174.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.0 m -89.78 144.79 8.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.305 0.574 . . . . 0.0 111.549 -175.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.9 pt -139.6 154.29 24.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.861 -175.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.55 ' SG ' ' HB2' ' A' ' 34' ' ' HIS . 17.7 p -90.57 150.95 21.53 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.444 HH11 ' HB3' ' A' ' 21' ' ' ALA . 17.1 mmm180 -66.36 -21.32 66.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.48 -171.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -86.46 -7.82 58.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.37 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.55 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -99.21 -61.02 1.42 Allowed 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.805 178.194 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.55 HD21 ' C ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -132.25 152.52 51.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.658 -173.31 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.9 tp -94.6 79.56 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.514 0.673 . . . . 0.0 111.085 -177.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 71.28 -51.75 0.69 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.437 176.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.5 mmt -97.34 139.13 33.75 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 41' ' ' SER . 0.5 OUTLIER -86.69 146.06 26.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.93 0.395 . . . . 0.0 110.22 -175.699 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -64.8 -18.74 65.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.125 -176.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.533 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 49.3 m . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 120.932 0.396 . . . . 0.0 110.118 174.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 . . . . . 0 C--O 1.227 -0.095 0 CA-C-O 121.444 0.64 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.4 m -104.03 -6.06 21.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.178 0.99 . . . . 0.0 108.99 173.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -113.91 138.34 50.45 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.026 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.43 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 17.9 t -54.53 121.34 8.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.454 -175.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.0 m -63.71 -27.48 69.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.271 -178.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.537 ' CE2' ' HB2' ' A' ' 39' ' ' CYS . 13.1 m-85 -85.57 -13.95 47.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.511 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.43 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 9.5 m -93.39 138.7 22.93 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 174.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.446 ' HB2' HG12 ' A' ' 15' ' ' ILE . 24.2 Cg_exo -59.86 132.4 44.85 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.058 1.839 . . . . 0.0 110.54 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.4 m -60.1 -23.29 63.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.137 -174.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -71.2 -19.16 62.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.804 0.335 . . . . 0.0 111.125 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.446 HG12 ' HB2' ' A' ' 12' ' ' PRO . 48.3 mm -81.68 -20.49 10.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.386 0.613 . . . . 0.0 110.598 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 58.47 35.06 24.45 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.573 176.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -82.0 115.92 21.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.151 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -70.49 158.26 36.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.662 -177.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.55 113.91 17.4 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.061 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -102.06 5.62 40.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.143 0.497 . . . . 0.0 110.158 177.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.44 153.98 37.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.327 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 m -141.42 138.58 33.05 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.957 0.408 . . . . 0.0 110.951 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.2 t -79.08 119.23 21.91 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 12.7 mptt -73.82 -19.01 60.87 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -172.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -85.66 -4.36 59.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.1 p -149.96 -12.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.371 -0.532 . . . . 0.0 112.291 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm 69.3 22.03 6.79 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.45 0.7 . . . . 0.0 111.807 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -85.51 140.4 30.69 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 170.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.9 m -93.95 143.85 10.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.247 0.546 . . . . 0.0 111.568 -173.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 35' ' ' ASN . 6.6 pt -137.12 150.57 26.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.74 -176.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 23.7 p -83.08 164.65 20.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.356 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -75.18 14.68 0.52 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.926 0.393 . . . . 0.0 111.262 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.401 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 41.3 mt-10 -111.68 -9.57 14.12 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 171.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -130.03 27.55 5.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.649 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.462 ' HA ' HD13 ' A' ' 30' ' ' ILE . 7.8 t30 -115.04 125.52 53.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.589 0.709 . . . . 0.0 112.781 -170.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.4 pt -124.95 32.45 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.743 167.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.8 t70 61.47 20.25 11.02 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 122.549 1.166 . . . . 0.0 109.773 -172.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 43.6 ttm -171.85 158.86 4.99 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.186 -1.37 . . . . 0.0 107.642 -175.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.537 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 1.8 p -100.35 153.23 19.49 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 175.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -59.45 -22.62 61.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.738 -176.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.3 m . . . . . 0 C--N 1.325 -0.467 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 178.957 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 121.11 0.481 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.2 m -95.98 -18.85 19.95 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.601 0.715 . . . . 0.0 109.817 175.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -105.03 139.15 40.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.645 -176.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.7 t -55.97 123.1 13.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.762 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.0 m -64.72 -27.59 69.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.396 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -76.62 -20.49 56.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.774 177.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 m -89.41 123.91 65.73 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.802 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -55.86 149.74 49.59 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.857 2.372 . . . . 0.0 111.754 176.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.2 m -63.69 -16.44 61.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.4 -174.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -83.25 -21.19 33.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.833 0.349 . . . . 0.0 110.835 175.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.9 mm -81.55 -40.55 18.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.302 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 55.03 69.66 0.71 Allowed 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 173.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 66.5 mtm180 -119.41 127.76 53.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.929 0.395 . . . . 0.0 110.167 175.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.56 146.15 54.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.825 -177.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.452 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -94.82 124.4 38.84 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.291 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -96.55 -0.23 49.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.736 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.36 174.57 10.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.956 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.0 t -155.85 148.01 23.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.946 0.403 . . . . 0.0 110.261 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.2 t -83.15 111.43 18.91 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -62.8 -34.61 77.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.16 -175.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.67 -50.62 68.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.039 0.447 . . . . 0.0 111.088 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.8 m -95.82 -10.48 28.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.133 -170.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 60.22 24.24 13.61 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.344 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -100.18 133.81 44.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.651 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.452 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 14.7 m -85.22 145.68 7.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.265 0.555 . . . . 0.0 111.21 -177.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.2 pt -139.31 146.41 25.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.042 -173.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.2 p -86.73 144.76 26.94 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 175.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -71.69 -7.41 47.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -174.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -79.88 -22.95 42.24 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 172.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.517 ' C ' HD21 ' A' ' 35' ' ' ASN . 3.1 m170 -97.81 -64.76 1.01 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.947 176.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.548 ' OD1' ' HA ' ' A' ' 39' ' ' CYS . 0.9 OUTLIER -133.17 126.86 32.58 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -178.564 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.4 tp -71.43 -34.82 54.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.102 -176.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -178.03 137.8 0.19 Allowed 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.5 ttp 65.67 114.97 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.746 0.654 . . . . 0.0 110.5 -174.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.548 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 1.4 p -79.32 173.43 12.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.109 -174.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -103.52 8.2 37.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.279 0.562 . . . . 0.0 110.574 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.8 t . . . . . 0 C--N 1.322 -0.596 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 176.896 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.419 ' HB3' HG13 ' A' ' 29' ' ' VAL . 97.1 mtt180 . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 121.167 0.508 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.8 m -97.64 -37.97 9.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.817 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -106.57 147.74 29.09 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.164 -176.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.418 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 15.0 t -61.21 128.93 38.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.151 -178.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.3 m -72.31 -25.09 61.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.489 -177.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -84.56 -16.46 42.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.065 0.46 . . . . 0.0 111.039 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.418 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 17.1 m -94.28 132.57 28.86 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.799 175.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.431 ' HB2' HG12 ' A' ' 15' ' ' ILE . 33.6 Cg_exo -55.59 140.63 83.81 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.578 2.185 . . . . 0.0 111.301 177.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.8 t -59.06 -27.87 65.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.066 -171.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -84.63 -0.51 53.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 111.757 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.431 HG12 ' HB2' ' A' ' 12' ' ' PRO . 51.6 mm -86.85 -26.41 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.425 0.631 . . . . 0.0 109.463 172.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 55.77 40.98 30.74 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.661 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -85.81 119.82 26.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.335 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -72.1 144.31 48.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.066 0.46 . . . . 0.0 111.038 -173.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.26 128.53 39.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.248 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.44 ' N ' HD21 ' A' ' 20' ' ' ASN . 0.9 OUTLIER -109.62 -15.61 14.13 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.855 0.36 . . . . 0.0 110.64 -179.551 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.4 162.03 28.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.022 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 13.7 m -135.44 135.35 40.49 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.454 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.3 t -78.25 111.99 14.78 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 175.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -67.65 -29.26 68.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.396 -169.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -68.37 -42.09 79.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.747 -175.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.5 -7.13 12.26 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.823 -174.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.0 mttp 71.66 17.49 5.52 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 177.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -89.06 136.41 33.03 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.419 HG13 ' HB3' ' A' ' 5' ' ' ARG . 18.4 m -92.35 147.64 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.069 0.462 . . . . 0.0 111.605 -176.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.459 HD11 ' HA ' ' A' ' 35' ' ' ASN . 2.5 pt -138.58 152.18 24.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.386 0.612 . . . . 0.0 111.515 -174.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.6 p -83.68 173.49 11.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.182 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.711 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 48.6 mtp180 -72.38 -4.49 30.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.865 -175.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -103.75 -8.48 19.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.001 0.429 . . . . 0.0 110.264 174.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -122.52 7.63 9.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.039 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.711 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -96.31 124.86 40.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.788 0.804 . . . . 0.0 112.325 -177.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.5 mt -116.64 21.33 6.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 172.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 56.18 30.24 16.17 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 114.881 -1.054 . . . . 0.0 108.467 -163.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.1 tpt 177.92 139.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.592 -1.632 . . . . 0.0 106.592 -170.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.9 p -89.95 158.38 17.42 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.628 -0.829 . . . . 0.0 110.22 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -51.29 -43.29 61.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 123.424 0.453 . . . . 0.0 111.944 -176.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--N 1.329 -0.309 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -174.64 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 121.112 0.482 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.1 m -96.49 -24.18 16.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.82 0.819 . . . . 0.0 109.696 173.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -109.6 144.89 37.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.055 -178.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.7 t -52.21 126.45 18.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.756 -176.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.4 m -67.11 -33.33 75.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.15 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -69.07 -29.18 67.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.346 176.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.4 m -82.34 140.6 45.33 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.295 177.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -61.49 134.87 53.76 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.353 2.035 . . . . 0.0 110.847 174.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.7 m -59.6 -25.43 64.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.274 -173.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -75.29 -18.49 60.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.646 0.26 . . . . 0.0 111.486 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.9 mm -73.32 -38.06 52.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 83.9 mtm180 60.73 58.68 2.34 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.75 -178.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -104.23 122.76 46.04 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.495 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 11.2 mptt -68.96 145.54 53.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.461 -171.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.439 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -100.78 113.6 26.65 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -96.42 15.13 22.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.32 0.581 . . . . 0.0 110.169 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.65 157.35 43.39 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.55 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.46 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 15.1 m -142.57 132.32 24.06 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.767 0.318 . . . . 0.0 110.364 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.2 t -77.17 101.73 6.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -59.2 -27.08 65.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.863 -174.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -63.53 -51.65 64.54 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.9 p -110.86 -2.2 16.2 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.513 -0.475 . . . . 0.0 112.113 -173.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.13 34.34 13.72 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.283 0.563 . . . . 0.0 111.248 179.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -109.35 134.89 51.26 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.362 174.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 21.0 m -87.56 146.82 5.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.409 -172.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.2 pt -139.36 154.16 24.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.205 -174.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.6 p -94.18 148.66 21.97 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 176.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -65.14 -14.34 60.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.933 -173.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -85.34 -21.56 28.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.037 0.446 . . . . 0.0 110.297 177.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -92.27 -42.42 9.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.818 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -146.79 179.28 7.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.927 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.5 mt -90.96 -66.95 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.145 0.498 . . . . 0.0 110.337 177.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -142.33 -42.65 0.33 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.745 -177.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.6 mtm -101.03 133.6 45.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.101 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -86.74 150.56 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 177.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -105.85 26.01 10.17 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 120.918 0.39 . . . . 0.0 110.989 -172.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.9 m . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.959 -179.543 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 . . . . . 0 N--CA 1.462 0.154 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.2 m -88.81 -17.21 30.21 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.818 0.818 . . . . 0.0 109.225 172.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -112.55 147.21 37.09 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.342 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.0 t -60.3 123.67 17.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.705 -176.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.7 m -66.58 -29.56 69.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.233 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -80.74 -18.02 49.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.928 -178.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.646 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 11.5 m -88.49 133.93 35.34 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.663 174.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -57.98 141.96 96.41 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.471 2.114 . . . . 0.0 111.546 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.8 m -63.21 -21.48 66.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.8 -0.637 . . . . 0.0 112.147 -174.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -78.41 -18.17 55.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 176.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.8 mm -81.84 -36.32 14.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.152 178.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 54.95 67.05 1.08 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.942 0.401 . . . . 0.0 111.089 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.646 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 39.2 ttm180 -110.01 120.76 43.48 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.841 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -61.11 148.36 40.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.221 -176.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.06 111.89 23.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.814 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -87.45 -22.42 24.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.93 0.395 . . . . 0.0 110.79 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.07 162.41 17.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.164 0.507 . . . . 0.0 110.781 -177.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.6 m -142.27 148.44 38.08 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.536 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.0 t -93.1 117.92 30.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.088 0.47 . . . . 0.0 110.136 179.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -57.34 -41.0 79.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.021 -0.991 . . . . 0.0 113.179 -169.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -75.2 -56.36 4.8 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -174.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.5 p -86.91 -13.25 45.31 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.521 -174.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp 69.14 19.22 8.04 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 122.92 0.488 . . . . 0.0 111.81 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -86.51 138.83 31.42 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 174.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.9 m -92.93 141.76 14.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.113 0.482 . . . . 0.0 110.665 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.9 pt -139.33 146.81 25.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.396 0.617 . . . . 0.0 111.475 -172.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.9 p -81.69 163.2 22.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.11 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.495 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 95.0 mtt180 -67.16 -4.3 9.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.788 -179.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -102.57 -5.75 23.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.771 0.32 . . . . 0.0 111.054 176.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -124.07 -2.21 8.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.294 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.495 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 24.7 p-10 -104.63 146.66 28.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.663 0.744 . . . . 0.0 112.381 -170.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.2 pt -113.91 36.04 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 163.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 58.21 32.52 22.13 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 114.315 -1.311 . . . . 0.0 109.451 -168.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 27.3 ttt 171.39 160.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 106.098 -1.815 . . . . 0.0 106.098 -172.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.493 ' SG ' ' HB3' ' A' ' 41' ' ' SER . 0.5 OUTLIER -101.68 142.33 33.2 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.136 175.579 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -72.99 -7.19 50.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.287 -175.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.493 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 28.1 t . . . . . 0 C--N 1.324 -0.502 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 175.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 121.537 0.684 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.4 m -109.11 -16.93 13.99 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.04 0.924 . . . . 0.0 108.8 172.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . 0.4 ' CE2' ' HD3' ' A' ' 18' ' ' LYS . 96.9 m-85 -119.24 142.8 47.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.882 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 18.0 t -52.31 121.15 6.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.112 -173.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.4 m -65.46 -24.02 67.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.102 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.555 ' OH ' ' HB2' ' A' ' 39' ' ' CYS . 6.7 m-85 -83.92 -19.48 34.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.887 178.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.713 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 5.6 m -89.82 156.78 46.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.48 178.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.423 ' HB2' HG12 ' A' ' 15' ' ' ILE . 5.2 Cg_exo -73.67 127.44 11.65 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.479 2.119 . . . . 0.0 110.468 173.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.2 m -57.29 -30.79 65.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.38 -171.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -73.03 -13.28 61.19 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.423 HG12 ' HB2' ' A' ' 12' ' ' PRO . 34.8 mm -85.79 -16.7 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.711 0.767 . . . . 0.0 110.105 178.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 57.39 41.62 26.06 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 114.539 -1.209 . . . . 0.0 112.536 172.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.713 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 84.5 mtt180 -83.24 120.99 26.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.946 0.403 . . . . 0.0 110.506 178.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.4 ' HD3' ' CE2' ' A' ' 7' ' ' TYR . 72.4 mmtt -63.81 140.72 58.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.571 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.407 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -97.09 98.92 10.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.22 176.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -84.94 1.23 48.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.973 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.54 162.42 34.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.357 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -147.36 134.17 20.1 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.5 t -68.74 119.26 12.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.463 -178.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -58.33 -35.25 71.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.678 -170.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -79.03 -51.6 9.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -173.711 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.9 p -98.02 -9.54 25.86 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -172.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt 67.87 18.72 9.62 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 122.963 0.505 . . . . 0.0 112.275 177.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -80.36 149.44 30.23 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 172.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.407 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 21.9 m -98.35 140.3 18.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.205 0.526 . . . . 0.0 111.222 -176.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 15.0 pt -138.18 153.8 27.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.835 -174.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.494 ' SG ' ' HB2' ' A' ' 34' ' ' HIS . 18.5 p -91.52 147.81 22.75 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -68.47 -7.09 28.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.531 -176.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -89.3 -21.8 22.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.445 175.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . 0.514 ' C ' HD21 ' A' ' 35' ' ' ASN . 0.2 OUTLIER -91.57 -58.27 2.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.96 0.409 . . . . 0.0 110.565 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.514 HD21 ' C ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -129.67 -172.28 2.72 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.782 -176.82 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.617 HG22 ' H ' ' A' ' 37' ' ' ASP . 3.6 tp -91.81 -90.98 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.702 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.617 ' H ' HG22 ' A' ' 36' ' ' ILE . 8.3 p-10 -134.11 17.88 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.997 0.903 . . . . 0.0 109.094 172.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 55.8 ttp -150.78 135.84 17.58 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.205 -176.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.555 ' HB2' ' OH ' ' A' ' 10' ' ' TYR . 1.3 p -82.79 156.84 23.47 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -178.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -77.58 7.22 5.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.336 -0.393 . . . . 0.0 112.044 -173.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 C--N 1.325 -0.471 0 CA-C-O 120.942 0.401 . . . . 0.0 110.955 177.2 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 121.085 0.469 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.3 m -108.25 -27.99 9.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.445 0.641 . . . . 0.0 110.32 177.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -112.05 143.89 42.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.744 -176.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 t -54.77 120.26 6.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.763 -176.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.3 m -65.68 -26.78 67.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.144 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -81.02 -17.11 51.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.514 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 m -88.69 140.93 29.75 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.19 177.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -61.56 138.68 77.12 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.206 1.937 . . . . 0.0 110.461 174.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.2 m -60.68 -23.19 64.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.323 -172.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -80.63 -12.45 59.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.653 0.263 . . . . 0.0 111.669 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mm -87.46 -32.9 6.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 55.29 71.81 0.52 Allowed 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.094 0.474 . . . . 0.0 111.943 175.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -107.52 114.65 28.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.25 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 133.03 52.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.124 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.44 111.62 21.32 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.037 -177.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -94.3 1.89 55.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.162 0.506 . . . . 0.0 110.437 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.55 163.69 28.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.723 177.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.6 m -144.91 157.02 44.29 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.912 0.387 . . . . 0.0 110.555 -178.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.1 t -105.2 98.96 8.59 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -66.58 -11.65 54.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.864 0.364 . . . . 0.0 111.502 -174.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -74.99 -25.65 58.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.576 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 29.4 p -138.67 -5.51 1.54 Allowed 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt 71.34 22.38 4.31 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.18 0.592 . . . . 0.0 112.468 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -89.48 139.68 30.28 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 171.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.5 m -99.4 144.6 11.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.752 0.311 . . . . 0.0 110.965 -176.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 35' ' ' ASN . 5.0 pt -138.93 149.16 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.122 0.487 . . . . 0.0 111.442 -173.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 19.8 p -84.26 168.45 15.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.858 -178.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.491 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 41.0 mmt180 -72.75 -1.33 16.07 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -177.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -99.76 -10.72 21.53 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 172.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -128.95 22.24 5.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.214 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.491 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 0.9 OUTLIER -106.72 125.84 51.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.815 0.817 . . . . 0.0 111.881 -173.668 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.458 ' HB ' ' O ' ' A' ' 38' ' ' MET . 16.1 mt -108.53 10.24 9.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 164.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 61.86 21.13 12.03 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 114.431 -1.258 . . . . 0.0 109.077 -166.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.458 ' O ' ' HB ' ' A' ' 36' ' ' ILE . 57.3 ttp -172.65 131.92 0.56 Allowed 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 113.001 -1.909 . . . . 0.0 106.603 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.604 ' SG ' ' HB3' ' A' ' 41' ' ' SER . 1.9 p -76.17 156.08 33.99 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -174.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -67.06 -15.74 63.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.804 -176.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.604 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 47.6 t . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.619 177.851 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 . . . . . 0 CA--C 1.53 0.201 0 CA-C-O 121.136 0.493 . . . . 0.0 111.396 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.9 m -85.92 -20.05 29.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.955 0.883 . . . . 0.0 109.122 171.138 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -124.16 151.8 43.59 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.349 -178.234 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.2 t -52.67 122.85 9.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.159 -0.928 . . . . 0.0 112.018 -175.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.5 m -64.29 -27.69 69.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.19 -0.913 . . . . 0.0 111.229 -179.564 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -80.86 -25.36 37.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.162 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 m -83.0 135.56 44.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.477 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.24 143.36 97.19 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.389 2.059 . . . . 0.0 111.669 178.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.1 m -64.19 -15.4 59.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.723 -177.388 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -77.94 -18.7 55.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.962 0.41 . . . . 0.0 110.5 175.635 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.6 mm -89.68 -47.83 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.127 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 59.77 70.97 0.6 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.974 0.416 . . . . 0.0 110.55 -177.41 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -98.77 126.88 44.53 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -56.57 120.68 8.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.063 -177.356 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.61 96.66 9.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.966 177.14 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -78.45 -12.86 60.03 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.025 0.44 . . . . 0.0 110.523 -179.103 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.96 168.18 16.37 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.1 -177.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.5 p -144.44 142.4 30.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.698 177.695 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.1 t -79.24 109.05 13.22 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.624 -178.013 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -76.33 69.47 2.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.84 -175.593 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -172.47 -46.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.347 174.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.1 p -106.19 -13.83 15.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.358 177.668 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm 69.34 18.86 7.89 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.274 -0.875 . . . . 0.0 112.067 176.649 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -76.51 133.12 39.85 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 171.446 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.7 m -84.97 138.37 19.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.011 0.434 . . . . 0.0 109.978 -178.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.5 pt -139.77 153.49 23.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.322 0.582 . . . . 0.0 111.516 -172.229 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.5 p -89.18 140.59 29.31 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 170.597 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.533 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 19.9 mtm180 -77.25 4.53 10.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.183 0.516 . . . . 0.0 111.123 -177.806 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -84.86 -16.27 41.82 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 168.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -100.55 -56.86 2.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.216 174.681 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.533 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 2.7 m120 -144.67 144.03 31.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.595 -178.909 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.8 mm -87.58 84.01 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.425 -174.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.477 ' OD1' ' HD3' ' A' ' 32' ' ' ARG . 8.2 m-20 60.47 11.4 2.96 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.809 174.672 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 43.6 tpp -154.4 120.47 5.3 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 41' ' ' SER . 0.8 OUTLIER -78.68 148.58 33.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.102 0.477 . . . . 0.0 109.923 -174.424 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -68.37 -6.77 26.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.066 -176.792 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.484 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 43.4 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 110.294 176.411 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 121.594 0.711 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.8 m -112.75 -33.54 6.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.563 172.863 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -103.74 144.97 30.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.627 177.715 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.6 t -51.77 120.73 5.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.361 -176.047 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.0 m -66.99 -30.41 70.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.384 -176.226 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.439 ' CE1' ' HB2' ' A' ' 39' ' ' CYS . 34.0 m-85 -82.93 -11.6 58.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.969 0.414 . . . . 0.0 111.161 -179.784 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 m -85.81 144.56 39.7 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 171.52 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HB2' HG12 ' A' ' 15' ' ' ILE . 23.5 Cg_exo -62.86 136.18 55.92 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.389 2.06 . . . . 0.0 110.897 176.546 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.8 m -56.99 -27.09 61.23 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -172.064 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -76.39 -23.59 54.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.751 0.31 . . . . 0.0 111.341 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.415 HG12 ' HB2' ' A' ' 12' ' ' PRO . 46.9 mm -72.96 -35.37 48.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.398 -178.808 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 54.6 66.14 1.31 Allowed 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.419 0.628 . . . . 0.0 111.098 179.077 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -102.4 119.6 39.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.387 178.112 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -62.04 136.22 57.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.785 0.326 . . . . 0.0 110.416 -179.331 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.24 147.64 34.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.456 178.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -108.75 -24.01 11.5 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.111 0.481 . . . . 0.0 110.14 -178.507 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.2 168.31 21.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.145 -178.391 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.1 m -126.3 133.39 51.41 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.132 179.172 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.6 t -70.76 109.64 5.09 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.556 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.415 ' HB2' ' HE2' ' A' ' 38' ' ' MET . 72.7 mmtt -63.88 -20.94 66.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.597 -171.385 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.451 ' HG2' ' SD ' ' A' ' 38' ' ' MET . 14.6 mmmm -80.86 -18.1 48.49 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -174.623 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.3 p -140.96 -2.96 1.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.113 -0.635 . . . . 0.0 112.676 -178.334 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt 66.51 20.39 10.86 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 122.565 0.346 . . . . 0.0 111.817 178.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -93.56 136.68 33.6 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 175.181 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.4 m -93.49 145.0 8.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.304 -171.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.474 HD13 ' HA ' ' A' ' 35' ' ' ASN . 6.1 pt -137.78 153.51 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.396 0.617 . . . . 0.0 111.884 -172.864 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.9 p -91.23 163.73 14.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.289 177.069 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.433 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 14.6 mmm180 -54.95 -40.32 69.82 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 118.089 0.404 . . . . 0.0 111.433 -177.892 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.42 -22.35 66.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.022 -178.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -115.7 15.4 16.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.54 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.474 ' HA ' HD13 ' A' ' 30' ' ' ILE . 6.6 t30 -107.76 124.34 49.9 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -171.004 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.492 ' C ' ' H ' ' A' ' 38' ' ' MET . 34.9 pt -121.83 37.87 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 166.432 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 p30 54.79 8.1 0.2 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.444 1.498 . . . . 0.0 111.543 -167.695 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' MET . . . . . 0.492 ' H ' ' C ' ' A' ' 36' ' ' ILE . 22.0 mmt -154.02 173.27 16.23 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 177.442 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.439 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -107.38 148.0 29.64 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.145 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -61.3 -16.3 44.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.814 -172.287 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.892 0.377 . . . . 0.0 110.541 178.14 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 121.215 0.531 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.5 m -88.68 -34.38 17.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.402 0.62 . . . . 0.0 110.688 178.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -113.52 152.92 29.56 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.736 -175.294 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.45 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 8.6 t -55.05 125.66 21.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.457 -178.477 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.9 m -63.13 -27.78 69.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.818 -176.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.486 ' CE2' ' HB2' ' A' ' 39' ' ' CYS . 11.3 m-85 -85.44 -20.43 29.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.217 0.532 . . . . 0.0 110.989 -179.899 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.45 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 20.0 m -92.96 147.89 34.76 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.948 177.513 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.454 ' HB2' HG12 ' A' ' 15' ' ' ILE . 15.4 Cg_exo -67.34 126.69 15.35 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.892 1.728 . . . . 0.0 110.67 175.79 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.9 m -61.15 -21.94 64.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.068 -175.164 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -82.08 -7.14 59.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 111.343 178.245 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.454 HG12 ' HB2' ' A' ' 12' ' ' PRO . 48.2 mm -92.88 -11.87 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.921 0.867 . . . . 0.0 109.593 175.11 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 61.16 44.19 10.29 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.354 -1.294 . . . . 0.0 112.437 172.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -84.78 107.13 16.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.005 0.431 . . . . 0.0 110.08 176.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.18 134.28 53.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.597 -177.026 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.431 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -81.84 99.19 8.88 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.764 179.443 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.468 ' N ' HD21 ' A' ' 20' ' ' ASN . 0.9 OUTLIER -84.37 6.01 24.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.555 178.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.89 171.09 18.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.006 0.432 . . . . 0.0 110.803 -178.209 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.1 p -146.37 136.55 23.66 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.953 178.014 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 37' ' ' ASP . 41.4 t -74.57 109.84 8.37 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 176.474 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -67.74 -15.39 63.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.543 -172.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -78.25 -30.19 48.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.605 -177.913 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.1 p -131.18 -5.21 3.86 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -177.517 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt 63.56 31.74 14.53 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 122.877 0.471 . . . . 0.0 111.716 -177.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -93.71 127.92 39.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 170.053 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.431 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 29.9 m -76.72 140.87 16.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 120.976 0.417 . . . . 0.0 110.836 -177.233 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.0 pt -140.61 164.42 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.499 -176.723 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.2 p -95.6 148.87 22.07 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.563 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.472 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 79.0 mtm180 -69.99 -5.38 25.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.269 0.557 . . . . 0.0 110.36 179.254 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -86.02 -12.7 49.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.525 175.187 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -107.12 -42.44 4.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.943 175.665 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.472 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 14.3 t-20 -172.83 166.42 5.25 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 174.744 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.406 HG21 ' OD1' ' A' ' 37' ' ' ASP . 8.4 tp -88.05 -32.5 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.186 -175.072 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.488 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 6.1 p-10 -166.9 10.73 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 178.834 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 85.6 mtp -131.96 125.39 31.47 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.883 -0.51 . . . . 0.0 111.07 -176.759 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.486 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -97.02 154.37 17.35 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 176.175 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -75.4 -8.62 57.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.88 -173.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 121.073 0.464 . . . . 0.0 110.149 177.6 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.768 0.318 . . . . 0.0 111.765 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.0 m -76.54 -27.57 55.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.218 0.532 . . . . 0.0 110.261 176.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -113.08 137.46 51.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.012 -176.169 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.2 t -58.25 127.25 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.639 -177.596 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.4 m -67.62 -30.49 70.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.209 -178.762 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.547 ' CE1' ' HB2' ' A' ' 39' ' ' CYS . 7.4 m-85 -84.13 -7.12 59.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.192 0.52 . . . . 0.0 111.23 -179.068 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.0 m -99.95 133.34 21.7 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.028 175.09 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' PRO . . . . . 0.416 ' HB2' HG12 ' A' ' 15' ' ' ILE . 36.3 Cg_exo -55.16 141.62 79.69 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.488 2.125 . . . . 0.0 110.92 175.134 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.8 t -60.28 -23.73 64.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.124 -171.04 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -82.42 -9.42 59.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.744 0.307 . . . . 0.0 111.574 -179.424 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.416 HG12 ' HB2' ' A' ' 12' ' ' PRO . 50.3 mm -81.01 -27.77 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.367 0.603 . . . . 0.0 110.174 178.317 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 55.67 31.92 18.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.617 178.624 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -78.84 118.6 21.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.652 179.423 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.407 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 12.1 mptt -72.82 149.48 43.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.218 -176.787 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.45 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -90.13 139.46 30.61 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.311 -178.122 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -102.78 -25.31 13.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.092 0.472 . . . . 0.0 110.454 -178.689 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.76 162.93 31.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.719 -176.533 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.3 m -127.27 133.27 50.19 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.304 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.4 t -71.6 109.4 5.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.93 178.8 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -58.42 -25.89 62.66 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 122.831 0.452 . . . . 0.0 111.82 -175.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -75.93 -36.29 59.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -175.249 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 32.0 p -127.14 -3.26 6.34 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.134 -0.627 . . . . 0.0 112.288 -174.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt 67.75 13.79 9.31 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.091 0.557 . . . . 0.0 112.421 179.649 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -85.63 142.75 28.86 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.383 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.45 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 22.2 m -98.08 149.2 5.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.25 0.548 . . . . 0.0 112.076 -171.746 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.1 pt -139.87 147.63 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.991 -176.042 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.7 p -83.97 174.11 10.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.761 -176.612 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' ARG . . . . . 0.47 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 55.0 ttp180 -56.73 -44.01 81.2 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.364 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -83.77 8.21 15.37 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.583 -179.344 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -130.91 7.85 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.396 176.093 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' ASN . . . . . 0.47 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 1.1 p-10 -104.01 126.8 51.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.853 0.835 . . . . 0.0 112.342 -173.537 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 8.8 mt -110.42 13.64 8.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 114.336 -1.302 . . . . 0.0 107.691 168.037 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 60.62 21.38 11.25 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.613 -1.176 . . . . 0.0 108.754 -164.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 52.2 ttm -170.48 135.56 1.22 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 113.324 -1.762 . . . . 0.0 106.95 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 1.5 p -83.75 152.67 24.55 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -177.323 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -58.38 -21.46 50.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.388 -171.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 120.69 0.281 . . . . 0.0 111.067 -179.479 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.853 0.358 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 23.0 mmt -93.88 81.28 4.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.291 0.567 . . . . 0.0 109.937 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.485 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -105.65 177.54 4.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.147 -178.808 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.6 pttm 43.6 34.42 0.81 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.959 0.904 . . . . 0.0 111.916 -177.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -91.08 23.23 3.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.452 0.644 . . . . 0.0 110.576 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 m -97.36 -13.24 21.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.019 0.914 . . . . 0.0 108.935 172.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -117.67 141.71 48.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.49 -176.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.404 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 10.0 t -51.76 122.07 7.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.786 -176.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 m -61.6 -25.09 67.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.407 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -83.49 -21.46 32.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.803 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.405 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 13.3 m -89.98 129.36 46.42 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.165 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.18 143.93 96.15 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 122.56 2.174 . . . . 0.0 111.615 177.023 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.5 m -64.16 -17.33 63.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.154 -175.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -79.87 -20.31 46.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.929 0.395 . . . . 0.0 110.734 175.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.4 mm -84.55 -35.74 10.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.753 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 51.7 67.35 0.97 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.028 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 17' ' ' ARG . 5.7 tpp180 -98.86 119.1 37.05 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 174.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -59.37 134.86 57.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.867 0.365 . . . . 0.0 110.179 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.12 104.21 16.81 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.722 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -83.22 -16.87 44.79 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.632 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.28 165.78 16.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.353 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.2 m -147.65 131.88 17.43 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.853 0.359 . . . . 0.0 110.593 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 37' ' ' ASP . 43.6 t -77.72 121.06 23.51 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.477 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -70.67 -37.2 73.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.195 -168.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -68.31 -35.77 78.3 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.106 0.409 . . . . 0.0 112.106 -174.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.534 ' SG ' ' HB2' ' A' ' 28' ' ' LYS . 30.3 p -112.43 -12.77 13.47 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.566 -177.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 69.08 18.61 8.27 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.281 0.632 . . . . 0.0 111.635 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.534 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 14.2 mptt -83.15 130.52 35.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.96 0.409 . . . . 0.0 109.913 174.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.8 m -82.69 138.97 18.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.361 -178.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.7 pt -138.62 158.14 30.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.362 0.601 . . . . 0.0 111.338 -173.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.498 ' SG ' ' HB3' ' A' ' 33' ' ' GLU . 14.4 p -94.19 142.96 26.81 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 173.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -69.38 -10.98 60.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.404 0.621 . . . . 0.0 110.256 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.498 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 42.8 tt0 -73.62 -19.41 60.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.634 173.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -104.71 -56.66 2.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.608 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.403 ' HB3' ' O ' ' A' ' 38' ' ' MET . 1.8 m120 -143.97 140.74 29.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.618 -176.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.0 mm -87.02 92.3 3.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.69 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.447 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 15.3 t70 74.1 -43.88 0.55 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.608 174.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.403 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 51.2 ttp -106.75 131.42 53.9 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.289 -0.257 . . . . 0.0 110.324 -178.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -81.81 152.9 26.71 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -65.84 -16.35 63.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.692 -174.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.4 m -87.51 4.62 42.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -177.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.0 m -123.03 150.41 43.1 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.859 176.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.849 179.481 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.006 0.431 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 95.4 mmm -102.04 65.11 0.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.096 0.475 . . . . 0.0 109.983 176.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -76.88 101.92 6.13 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -68.22 -36.45 79.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.948 -174.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.8 mtm-85 -86.84 27.45 1.0 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -176.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.5 m -108.56 -29.45 8.75 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.582 0.706 . . . . 0.0 109.598 171.103 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -105.12 143.05 33.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.933 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.4 t -54.5 123.9 14.5 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.784 -177.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.6 m -65.49 -29.45 70.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.234 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -80.99 -20.21 42.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.951 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.1 m -83.92 128.67 62.07 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -51.63 153.5 10.81 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.986 2.457 . . . . 0.0 111.52 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.0 m -64.3 -23.46 67.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.217 -171.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -84.1 -12.01 55.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.119 0.485 . . . . 0.0 110.564 175.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.2 mm -101.95 78.43 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.6 mtm180 -75.97 85.05 2.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.685 -174.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -115.15 126.25 54.39 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.456 173.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -68.02 133.48 49.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.439 -176.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.82 145.05 50.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.195 -177.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -103.0 -37.45 7.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.483 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.9 166.02 19.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.333 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 m -129.91 142.31 50.67 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.316 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.2 t -89.81 107.17 18.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.406 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.4 mptt -64.14 -26.37 68.5 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.855 -170.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -64.34 -40.39 95.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.622 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.404 ' SG ' ' HG2' ' A' ' 28' ' ' LYS . 28.5 p -120.26 -8.19 9.7 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -173.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.2 mttt 66.08 31.58 8.82 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.134 0.574 . . . . 0.0 111.6 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HG2' ' SG ' ' A' ' 26' ' ' CYS . 34.6 mmtp -99.15 148.46 24.06 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.067 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.4 m -105.07 146.98 11.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 120.938 0.399 . . . . 0.0 110.97 -175.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.456 HD11 ' HA ' ' A' ' 35' ' ' ASN . 2.9 pt -138.18 150.25 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.12 0.486 . . . . 0.0 111.755 -172.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.6 p -89.6 170.71 10.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.406 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.574 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 26.3 mmm180 -59.06 -26.55 64.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.943 0.401 . . . . 0.0 111.594 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -83.39 -11.32 57.72 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.92 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -131.71 22.85 4.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.558 -176.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.574 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -116.99 140.06 49.92 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -178.166 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.3 pt -127.59 34.83 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 114.72 -1.127 . . . . 0.0 108.209 167.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 59.39 26.41 15.3 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.264 -169.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 48.4 ttm -179.58 157.96 0.79 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 -176.308 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.94 148.03 23.88 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.594 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -58.79 -26.15 63.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.385 -172.384 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.4 t -70.68 -25.02 62.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.267 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 68.9 m -101.61 8.81 41.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.381 . . . . 0.0 110.188 178.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 72.0 t80 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.45 -0.786 . . . . 0.0 110.257 -178.695 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 26.2 t . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 121.075 0.464 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 38.6 tpp -167.03 149.19 6.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.031 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -91.22 86.24 6.11 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.514 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -109.64 2.21 20.09 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.63 -175.926 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -72.62 -13.69 61.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.12 0.486 . . . . 0.0 110.783 177.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.408 HG21 ' HG3' ' A' ' 18' ' ' LYS . 32.8 m -66.28 -27.73 68.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.597 174.172 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -108.65 142.14 39.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.994 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 4.1 t -57.32 127.57 32.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.198 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.0 m -64.38 -28.2 69.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.324 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -80.42 -18.71 48.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.047 0.451 . . . . 0.0 110.528 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.4 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 15.1 m -94.81 142.95 25.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.477 177.695 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -67.23 135.12 35.93 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.116 1.877 . . . . 0.0 110.48 171.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.0 m -58.56 -26.97 64.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.717 -176.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -72.78 -14.32 61.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 111.098 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.1 mm -82.85 -21.38 9.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.541 0.686 . . . . 0.0 109.959 176.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 59.52 34.26 22.43 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.459 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.41 ' HA ' ' NE ' ' A' ' 17' ' ' ARG . 4.7 tpm_? -85.37 103.41 14.25 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.408 ' HG3' HG21 ' A' ' 6' ' ' THR . 0.0 OUTLIER -63.56 144.23 57.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.536 -177.203 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -94.56 100.16 12.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.164 -178.407 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -84.21 0.52 48.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.924 0.392 . . . . 0.0 110.741 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.62 163.85 28.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.909 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.9 p -147.94 125.52 11.75 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.847 0.355 . . . . 0.0 110.919 -178.549 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -74.03 100.01 3.47 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.636 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -69.15 -13.69 62.56 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.652 -174.449 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -73.15 -34.24 65.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.067 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 29.6 p -126.98 -3.42 6.43 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.953 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 67.98 36.64 3.29 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.152 0.581 . . . . 0.0 111.66 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.9 mttp -111.58 134.65 53.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.554 174.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 21.5 m -84.36 144.69 9.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.068 -174.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.464 HD11 ' O ' ' A' ' 37' ' ' ASP . 9.7 pt -141.67 155.21 20.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.258 0.551 . . . . 0.0 111.42 -174.376 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.4 p -93.44 144.96 24.86 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 174.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -71.32 -2.6 16.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.937 0.399 . . . . 0.0 111.153 -176.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -83.13 -25.79 31.58 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 172.624 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -95.22 -61.73 1.43 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.013 177.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -134.94 136.1 42.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.562 -177.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.1 tp -69.39 -30.34 45.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.784 -171.43 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.464 ' O ' HD11 ' A' ' 30' ' ' ILE . 31.4 t70 -164.96 -52.03 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 111.273 -177.191 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.8 mmt -101.9 143.01 32.32 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 174.205 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.9 p -76.83 155.69 32.8 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.44 -20.56 66.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.682 -175.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.8 t -75.94 -14.92 60.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.658 0.266 . . . . 0.0 110.727 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 90.0 m -104.88 -165.38 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.3 p90 . . . . . 0 C--O 1.252 1.212 0 CA-C-O 118.349 -0.834 . . . . 0.0 111.195 -178.202 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 26.4 m . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.579 0.228 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.405 ' HG3' ' O ' ' A' ' 2' ' ' MET . 23.9 ptt? -78.52 110.17 13.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.272 0.558 . . . . 0.0 110.192 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -87.29 76.84 9.08 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.122 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -67.84 -22.84 65.12 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.674 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -84.38 48.75 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.631 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.8 m -106.1 -16.48 14.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.097 0.951 . . . . 0.0 109.006 173.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -107.24 141.82 37.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.041 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.9 t -53.26 124.77 15.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.788 -175.437 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.0 m -70.68 -27.43 64.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.61 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -77.77 -19.88 54.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.144 0.497 . . . . 0.0 110.526 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.3 m -88.6 139.48 29.71 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.115 175.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -62.66 141.21 84.81 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.502 2.135 . . . . 0.0 111.282 175.053 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 m -60.55 -23.74 64.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.013 -175.835 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -75.2 -18.48 60.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.804 0.335 . . . . 0.0 111.246 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.3 mm -81.45 -32.3 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 54.26 52.97 11.64 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.483 0.658 . . . . 0.0 111.025 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.4 tpt85 -92.26 116.41 28.94 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.669 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -59.51 142.08 53.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.444 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.31 140.24 29.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.366 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -112.28 -12.48 13.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.322 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.22 170.27 16.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.841 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.1 m -144.04 131.26 20.73 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.777 0.323 . . . . 0.0 110.639 -178.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.9 t -79.75 100.92 8.16 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 176.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -56.66 -30.74 63.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.965 -174.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -69.04 -31.36 70.08 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -174.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.1 p -125.92 -3.84 7.02 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.712 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.478 ' HZ3' ' HB3' ' A' ' 27' ' ' LYS . 3.9 mmmp? 66.65 28.59 9.12 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.108 0.563 . . . . 0.0 111.852 178.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -97.72 136.4 38.12 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 173.562 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 23.6 m -96.7 147.14 6.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.954 0.407 . . . . 0.0 111.234 -175.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.457 HD11 ' HA ' ' A' ' 35' ' ' ASN . 2.5 pt -138.7 151.79 24.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.759 -172.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.1 p -91.86 168.54 11.36 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.481 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.581 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 29.4 mmm180 -54.86 -36.43 65.08 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 111.791 -179.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -75.61 -13.29 60.33 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.015 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -126.79 13.69 7.43 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -175.238 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.581 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -109.45 140.8 42.74 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -174.015 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.2 pt -128.52 34.06 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 163.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 70.72 -51.03 0.67 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 113.698 -1.592 . . . . 0.0 110.222 -170.027 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 50.9 ttp -90.87 165.36 13.65 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 172.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 p -94.96 153.16 17.79 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -71.59 -8.35 53.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.294 -174.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.2 m -84.69 -15.16 46.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.764 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.1 m -105.46 2.24 28.4 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.067 0.461 . . . . 0.0 109.803 172.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.7 t80 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.16 -177.979 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.0 p . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 121.086 0.47 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 22.0 ptp -98.61 -11.38 22.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.534 -177.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.85 155.7 18.02 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.182 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt 55.63 50.99 13.3 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.65 0.738 . . . . 0.0 110.414 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.525 ' HA ' ' NE ' ' A' ' 5' ' ' ARG . 3.3 mmp_? -121.17 64.91 0.87 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.827 -178.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.4 m -85.94 -24.45 26.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.177 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -106.6 146.14 31.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.956 -175.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.2 t -55.49 125.06 19.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.659 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.9 m -67.26 -23.31 65.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.362 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -86.11 -18.46 32.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.785 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.7 m -84.5 133.55 44.24 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.721 175.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.85 143.79 95.02 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.934 2.423 . . . . 0.0 111.391 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -65.19 -16.33 63.41 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -176.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -73.24 -15.66 61.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.184 0.516 . . . . 0.0 109.996 173.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.8 mt -117.78 88.04 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.371 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.18 75.8 0.97 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.19 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -99.86 127.74 46.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.33 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.57 140.32 57.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.761 -174.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.41 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -83.25 102.72 12.12 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.59 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -81.39 7.01 12.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.312 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.54 169.51 24.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.965 0.412 . . . . 0.0 110.745 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.453 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 45.5 t -143.52 129.3 19.36 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.883 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.63 ' HA ' ' O ' ' A' ' 37' ' ' ASP . 51.1 t -75.41 115.61 15.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.04 -178.422 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -67.59 -28.04 67.43 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -170.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 57.6 tttm -73.99 -36.29 64.5 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.846 -174.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.8 p -115.94 -7.58 11.97 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.527 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.1 mttt 65.82 24.99 11.33 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.689 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -96.15 131.84 42.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.002 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.453 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 35.6 m -77.31 144.52 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.307 -178.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.4 pt -144.02 161.84 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.045 -175.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.404 ' SG ' ' HB2' ' A' ' 34' ' ' HIS . 14.9 p -97.21 143.57 27.87 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 172.232 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.46 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 74.3 mtm180 -73.31 -7.17 50.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.855 0.359 . . . . 0.0 111.067 -174.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -84.65 -13.02 52.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.066 0.46 . . . . 0.0 110.148 172.529 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.404 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 0.8 OUTLIER -98.47 -57.49 2.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.518 172.861 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.46 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 9.3 m120 -141.48 140.25 33.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.925 -178.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.402 ' C ' ' H ' ' A' ' 38' ' ' MET . 45.6 mm -86.27 86.81 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.749 0.309 . . . . 0.0 110.786 -177.143 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.63 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 14.8 m-20 71.55 -34.42 0.3 Allowed 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.697 175.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.436 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 94.3 mmm -116.73 129.82 56.35 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.61 150.9 27.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.262 0.553 . . . . 0.0 110.486 -173.72 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -60.85 -26.43 67.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.364 -172.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.2 t -69.58 -23.12 63.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.076 0.465 . . . . 0.0 110.721 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.416 ' SG ' ' HB3' ' A' ' 25' ' ' LYS . 94.3 m -98.34 -60.03 1.63 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.946 0.403 . . . . 0.0 110.606 178.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.463 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 97.8 m-85 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.547 -0.74 . . . . 0.0 110.448 -176.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 94.4 mmm 57.06 40.98 28.12 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.997 -179.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 60.48 87.21 0.09 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.129 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -58.34 -30.06 66.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.096 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -78.3 21.38 0.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.041 0.448 . . . . 0.0 111.657 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 m -105.56 -17.23 14.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.011 0.91 . . . . 0.0 109.083 171.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -106.99 144.15 34.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.802 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.467 ' HB2' ' HB3' ' A' ' 31' ' ' CYS . 18.8 t -52.57 125.95 18.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.018 -176.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.0 m -68.09 -23.29 64.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.583 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.608 ' CE2' ' HB2' ' A' ' 39' ' ' CYS . 29.5 m-85 -97.04 4.47 51.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.977 0.418 . . . . 0.0 111.377 -178.118 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 m -111.25 132.29 21.82 Favored Pre-proline 0 C--N 1.315 -0.915 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.318 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.42 149.02 77.15 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 123.01 2.473 . . . . 0.0 112.306 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.0 m -68.01 -11.22 58.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.08 -176.287 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -86.78 -13.72 44.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.028 0.442 . . . . 0.0 110.85 173.408 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.1 mm -97.47 -47.83 12.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.01 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 53.19 77.11 0.18 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.589 176.068 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.0 mmm180 -97.57 120.67 38.36 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 173.26 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.06 128.72 38.23 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.442 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -76.63 107.24 8.79 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.902 0.382 . . . . 0.0 111.173 -176.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.442 ' N ' HD21 ' A' ' 20' ' ' ASN . 0.9 OUTLIER -90.86 -7.38 52.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.147 0.498 . . . . 0.0 110.341 179.02 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.61 169.05 18.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.737 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.9 p -147.16 149.03 32.18 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.119 0.485 . . . . 0.0 111.076 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 44.0 t -86.35 95.59 9.7 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.14 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -61.17 -22.43 64.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.837 0.351 . . . . 0.0 111.074 -175.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -62.49 -38.58 90.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.749 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.3 p -128.18 -2.89 5.69 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.659 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 68.81 34.8 3.18 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.569 0.748 . . . . 0.0 112.187 178.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -104.71 133.92 48.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 172.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.442 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 26.7 m -86.8 148.42 4.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -173.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.7 pt -140.05 158.29 26.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 121.25 0.548 . . . . 0.0 111.272 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 24.3 p -90.37 173.92 7.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -175.728 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.576 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 27.5 mtm180 -69.78 -16.72 63.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.045 0.45 . . . . 0.0 110.941 178.408 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.491 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 14.0 mp0 -85.67 -10.61 55.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.888 176.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -134.16 28.15 3.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.547 -177.673 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.576 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -91.19 111.5 23.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 122.02 0.915 . . . . 0.0 112.869 -174.274 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.565 ' HB ' ' O ' ' A' ' 38' ' ' MET . 13.8 mt -113.3 3.54 8.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 168.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.47 22.33 7.91 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 122.559 1.171 . . . . 0.0 108.994 -164.317 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.565 ' O ' ' HB ' ' A' ' 36' ' ' ILE . 51.5 ttm -168.15 142.03 3.33 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 113.113 -1.858 . . . . 0.0 106.705 -177.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.608 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 7.5 p -87.87 157.31 19.02 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -175.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -66.81 -13.1 61.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.01 -173.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.7 m -80.27 -29.88 38.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.545 0.212 . . . . 0.0 110.866 176.462 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.5 m -91.43 -19.93 22.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.016 0.436 . . . . 0.0 110.078 176.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 60.2 t80 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.8 -0.619 . . . . 0.0 110.435 -178.225 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 120.936 0.398 . . . . 0.0 111.366 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 27.7 ttt -137.05 81.85 1.9 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.418 ' HB3' ' OG1' ' A' ' 6' ' ' THR . 60.3 mttp -83.21 67.63 9.28 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.559 -174.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -79.6 -38.73 33.29 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.796 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -93.53 41.78 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.368 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.418 ' OG1' ' HB3' ' A' ' 3' ' ' LYS . 51.6 m -116.42 -21.15 9.38 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.312 173.197 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -106.35 145.89 31.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.202 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.437 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 35.9 t -52.86 123.95 12.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 123.732 0.645 . . . . 0.0 111.818 -174.391 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.3 m -68.97 -31.57 70.53 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.766 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -72.23 -26.12 61.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.889 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.437 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 23.2 m -90.29 138.38 27.19 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.118 176.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -58.74 138.55 86.37 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.222 1.948 . . . . 0.0 110.29 172.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.9 m -61.47 -20.76 63.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.724 -174.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -72.49 -17.12 61.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.388 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.9 mm -80.66 -21.78 11.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.158 0.504 . . . . 0.0 110.931 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 62.51 33.5 15.96 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.211 176.644 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -85.16 116.35 23.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.242 -175.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.5 145.59 49.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.445 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -106.27 117.8 34.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.24 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -109.48 17.24 21.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.011 176.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.14 164.35 30.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.615 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.428 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 12.8 p -154.24 132.88 12.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.518 0.199 . . . . 0.0 111.304 -177.52 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.568 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 43.3 t -75.97 117.95 18.23 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 176.663 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -70.83 -19.02 62.7 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.951 0.405 . . . . 0.0 110.866 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -99.45 15.15 27.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.758 0.313 . . . . 0.0 111.515 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.6 m -142.81 -22.72 0.65 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.889 174.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 65.2 20.23 11.9 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 123.112 0.565 . . . . 0.0 110.152 -174.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -103.98 141.32 36.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.228 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.428 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 27.7 m -91.35 144.47 9.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.114 0.483 . . . . 0.0 111.242 -175.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 13.8 pt -136.05 156.23 36.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.299 -178.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.454 ' SG ' ' HB2' ' A' ' 34' ' ' HIS . 18.9 p -86.29 145.75 26.8 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.06 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.517 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 84.1 mtm180 -66.35 -15.52 63.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.827 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -77.61 -21.05 52.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.811 175.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.454 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -93.02 -45.1 8.08 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.698 176.211 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.517 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 15.5 t-20 -166.92 155.74 10.32 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 173.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.1 tp -78.55 -20.67 13.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.227 -172.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -168.57 -46.57 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -175.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 65.1 mtt -95.41 156.8 16.17 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.987 0.422 . . . . 0.0 111.618 -172.153 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.568 ' HB3' ' HB2' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -123.26 137.29 54.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.192 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -90.91 26.96 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.751 -173.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.6 m -119.37 43.26 2.65 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.922 0.392 . . . . 0.0 110.556 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.8 p -157.82 -88.66 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.367 177.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.545 -0.741 . . . . 0.0 109.322 -179.43 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 121.062 0.458 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 61.3 mtt -123.77 87.34 2.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.353 -177.373 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -123.95 119.87 30.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.742 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -108.23 -7.41 15.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.291 176.526 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 -116.41 45.33 1.81 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.448 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.1 m -95.36 -25.68 16.2 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.422 0.629 . . . . 0.0 110.457 175.607 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -109.56 143.42 39.25 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.847 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.8 t -56.17 128.66 36.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.554 -175.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.5 m -69.27 -26.0 64.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.346 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -88.7 -16.61 31.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.962 0.411 . . . . 0.0 111.242 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.452 ' SG ' ' HD3' ' A' ' 17' ' ' ARG . 12.9 m -84.77 126.5 68.24 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -52.91 143.87 47.19 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.018 2.479 . . . . 0.0 112.029 -178.23 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.4 m -63.54 -20.62 65.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.213 -173.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -90.03 -0.09 57.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.932 0.396 . . . . 0.0 111.018 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.4 mm -97.35 -42.81 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.704 174.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 56.56 73.11 0.46 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.245 177.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.452 ' HD3' ' SG ' ' A' ' 11' ' ' CYS . 74.3 ttt180 -111.1 127.46 55.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.997 178.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -57.38 140.5 50.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.078 -178.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.36 141.07 28.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.508 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -116.13 -7.42 11.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.573 -175.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.71 179.74 8.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.796 -178.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.426 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 23.2 t -152.93 143.67 22.82 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.716 0.293 . . . . 0.0 110.263 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.424 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 49.9 t -76.9 111.16 12.14 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 173.771 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -66.26 -16.6 64.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.396 0.617 . . . . 0.0 110.616 -174.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -82.88 -37.88 23.69 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.48 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.9 m -121.9 1.73 9.9 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -169.188 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 68.99 1.44 3.17 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 175.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -76.12 128.22 34.54 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.426 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 28.1 m -89.34 142.59 12.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.082 0.468 . . . . 0.0 110.837 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.486 HD11 ' HA ' ' A' ' 35' ' ' ASN . 1.8 pt -138.67 152.51 24.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.431 -171.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.7 p -88.0 166.68 14.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.94 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -66.19 -5.58 10.67 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -177.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -98.29 -22.88 15.89 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.911 0.386 . . . . 0.0 110.344 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -114.28 6.99 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.369 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.486 ' HA ' HD11 ' A' ' 30' ' ' ILE . 23.6 p-10 -99.83 134.3 42.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.708 0.765 . . . . 0.0 111.762 -175.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.7 pt -123.93 34.63 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 114.937 -1.028 . . . . 0.0 108.715 171.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 62.85 17.42 9.93 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.341 -1.3 . . . . 0.0 110.758 -173.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.7 ptp -173.63 177.58 2.48 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 177.131 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.424 ' HB3' ' HB2' ' A' ' 23' ' ' CYS . 6.6 p -106.47 146.07 31.01 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.319 -177.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -67.5 -10.31 50.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.075 -173.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 t -70.99 -19.73 62.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.051 0.453 . . . . 0.0 110.375 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.5 p -119.68 8.35 11.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.654 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.6 t80 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.457 -0.782 . . . . 0.0 109.896 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 120.844 0.354 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 86.3 mtp -94.65 151.58 19.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.231 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm 62.66 78.61 0.29 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.446 0.641 . . . . 0.0 111.679 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.433 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 3.9 mppt? -75.59 -21.77 57.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.502 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -77.04 11.66 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.538 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 55.8 m -103.38 -16.12 15.72 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.551 0.691 . . . . 0.0 109.79 174.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -117.98 139.53 51.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.742 -175.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.427 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 12.5 t -54.95 120.62 7.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.723 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.1 m -60.11 -27.81 67.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.66 -177.674 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -87.44 -16.23 35.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.422 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.427 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 6.8 m -87.71 142.75 32.87 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.211 177.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -64.0 135.35 47.26 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.192 1.928 . . . . 0.0 110.917 174.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 m -61.73 -21.74 64.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.244 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -63.24 -28.74 70.24 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.082 0.468 . . . . 0.0 110.572 174.356 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.1 mm -78.96 -29.78 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.536 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 58.11 41.74 23.43 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.79 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -80.4 109.79 15.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.393 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -65.82 136.32 56.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.05 177.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.71 128.63 35.62 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.054 -177.25 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -103.55 0.55 31.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.247 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.67 165.07 25.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.204 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.42 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 33.5 p -147.41 135.42 21.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.763 0.316 . . . . 0.0 111.475 -177.046 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.4 t -84.59 99.33 10.7 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 175.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.5 tptt -55.85 -31.01 62.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.485 -169.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -62.78 -47.67 82.48 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -176.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.5 p -104.56 -8.11 19.24 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.351 -176.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm 70.09 14.99 7.72 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.044 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -87.21 135.79 33.17 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 177.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.42 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 31.0 m -88.24 148.11 4.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.992 -176.626 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 pt -145.63 162.25 11.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.668 -174.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.4 p -97.81 144.8 27.03 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -67.15 -14.21 62.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.028 0.442 . . . . 0.0 110.86 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -72.67 -20.41 61.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.663 174.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -105.28 -58.91 1.83 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.611 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.453 ' HB3' ' O ' ' A' ' 38' ' ' MET . 15.3 m120 -145.78 138.79 25.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.422 -175.272 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.3 tt -89.66 79.53 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.767 0.794 . . . . 0.0 111.029 -177.37 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 61.37 17.16 8.08 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.389 176.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.453 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 22.5 ptm -146.01 115.64 7.22 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -89.1 168.08 12.61 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -177.556 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -81.5 -1.39 45.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.998 -172.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.8 t -103.65 10.71 36.73 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.013 0.435 . . . . 0.0 110.824 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 74.4 m -134.92 172.67 12.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.435 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 . . . . . 0 C--O 1.249 1.069 0 O-C-N 124.293 0.996 . . . . 0.0 111.362 174.069 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.11 85.82 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.313 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -111.58 18.94 18.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.193 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -69.2 -31.15 69.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.044 -175.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 -104.08 17.49 24.0 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.42 0.629 . . . . 0.0 110.196 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.2 m -103.24 -43.86 5.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.207 176.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -101.19 142.19 32.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.488 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.0 t -47.89 123.23 5.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.889 -178.622 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.2 m -70.16 -19.79 63.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.106 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -86.41 -25.49 25.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.214 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.4 m -79.02 140.83 57.91 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.539 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_exo -60.79 148.59 91.54 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.66 2.24 . . . . 0.0 111.118 174.389 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.5 m -62.87 -22.07 66.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 112.079 -174.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -77.07 -20.28 56.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.981 0.42 . . . . 0.0 110.605 175.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.5 mt -107.16 77.47 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.609 0.719 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -72.27 97.72 2.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.454 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -116.47 127.13 54.29 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.02 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -63.86 131.81 48.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.054 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.91 107.18 14.42 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.064 -178.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -95.55 24.64 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.119 0.485 . . . . 0.0 110.368 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.24 158.69 36.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.305 -0.861 . . . . 0.0 108.975 174.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.2 m -155.98 136.98 13.61 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -177.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 4.0 t -76.93 119.84 21.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 177.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -72.91 -28.36 62.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.296 -168.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -88.01 -36.43 17.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.657 0.265 . . . . 0.0 111.354 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.4 m -95.1 -15.48 23.35 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -175.189 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 65.65 23.89 11.63 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.842 0.457 . . . . 0.0 112.022 177.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -98.73 131.86 44.55 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.1 m -92.04 140.95 15.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.971 0.415 . . . . 0.0 110.579 -177.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.454 HD11 ' HA ' ' A' ' 35' ' ' ASN . 4.6 pt -137.68 147.94 25.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.026 -173.624 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.536 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 21.2 p -81.89 163.56 22.18 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -57.22 -36.9 71.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.882 0.373 . . . . 0.0 110.661 -176.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -67.34 -25.08 65.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.268 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -112.67 20.63 16.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.821 0.343 . . . . 0.0 110.324 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.536 ' HB3' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -115.08 140.72 48.83 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -170.715 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.427 ' C ' ' H ' ' A' ' 38' ' ' MET . 26.6 pt -131.39 28.96 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 164.127 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 t70 72.4 -42.04 0.52 Allowed 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 114.121 -1.4 . . . . 0.0 110.214 -168.043 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.427 ' H ' ' C ' ' A' ' 36' ' ' ILE . 62.5 mtm -95.09 170.33 9.49 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 172.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.5 p -104.38 146.44 28.83 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.998 0.428 . . . . 0.0 109.892 178.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -62.64 -19.57 63.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.827 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 t -66.15 -19.39 65.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.1 p -118.76 15.8 13.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.827 0.346 . . . . 0.0 111.037 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 72.6 t80 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.74 -0.647 . . . . 0.0 110.352 -179.709 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.677 0.275 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 22.1 ptm -133.66 120.53 20.77 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.854 0.359 . . . . 0.0 111.563 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 59.74 28.57 18.05 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.493 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -101.65 -22.53 14.43 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.276 0.56 . . . . 0.0 109.95 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -101.16 18.93 18.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.365 178.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.0 m -87.92 -16.73 33.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.3 -0.864 . . . . 0.0 108.788 171.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -117.62 147.32 42.97 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.38 -177.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.8 t -57.68 125.21 21.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.466 -178.136 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.2 m -66.24 -29.59 69.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.079 -178.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -79.97 -21.31 43.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.7 m -83.61 128.99 61.57 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.85 152.72 48.3 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.825 2.35 . . . . 0.0 112.498 -177.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.8 t -53.57 -44.68 69.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.463 0.171 . . . . 0.0 111.463 -175.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -67.37 -16.29 64.16 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.973 0.416 . . . . 0.0 111.138 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.6 mm -101.48 71.93 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 176.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.577 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -61.93 92.49 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 122.01 0.909 . . . . 0.0 111.081 -178.212 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -119.85 116.64 26.27 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.189 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -62.03 140.51 58.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.804 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.14 125.95 33.22 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.024 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -111.43 11.78 21.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.121 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.23 167.44 28.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.692 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.409 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 47.1 p -157.16 131.38 8.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.984 0.421 . . . . 0.0 111.133 -177.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.9 t -84.1 96.92 9.07 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -36.9 61.11 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -170.849 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' HD2' ' HA ' ' A' ' 43' ' ' PHE . 67.4 mttm -63.33 -34.43 77.68 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -174.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.8 p -111.04 -5.92 14.72 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.954 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 67.21 17.77 10.32 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.043 178.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -89.66 125.37 35.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.05 0.453 . . . . 0.0 110.432 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.409 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 35.6 m -81.57 145.2 9.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.514 -179.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.3 pt -142.9 167.69 14.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.173 0.511 . . . . 0.0 110.913 -175.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.9 p -99.21 146.48 26.13 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.601 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 50.4 mtm180 -69.54 -4.88 20.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 -177.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -84.57 -25.84 28.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.796 174.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -89.39 -35.33 16.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.212 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.601 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 23.4 t-20 -171.52 159.76 5.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.562 172.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.7 tp -60.39 -52.4 61.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -177.138 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -172.28 32.85 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.633 0.73 . . . . 0.0 110.685 -178.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 54.9 mtt -143.43 147.29 34.37 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 42' ' ' CYS . 6.1 p -97.26 173.45 7.21 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.202 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -91.58 -22.65 20.21 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.185 0.517 . . . . 0.0 109.853 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.9 m -76.23 -24.21 54.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.458 -177.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.444 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -159.23 174.79 14.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.393 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.41 ' HA ' ' HD2' ' A' ' 25' ' ' LYS . 1.2 t80 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.161 -0.924 . . . . 0.0 109.921 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 39.9 t . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 120.868 0.366 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 34.3 tpp -78.78 127.87 32.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.77 0.319 . . . . 0.0 110.497 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -96.9 69.65 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.303 0.573 . . . . 0.0 110.283 177.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -130.37 29.49 4.85 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.9 0.857 . . . . 0.0 109.342 177.302 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -80.36 54.24 1.97 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.91 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.1 m -97.7 -23.13 16.08 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.611 0.72 . . . . 0.0 109.564 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -102.85 141.62 35.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.532 -176.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.2 t -55.72 124.24 16.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.772 -176.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.0 m -66.8 -30.44 70.64 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.291 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -81.01 -22.87 39.06 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.428 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.52 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 12.2 m -79.95 132.63 59.93 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 175.478 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.39 145.43 36.39 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.812 2.341 . . . . 0.0 111.55 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -65.62 -11.98 49.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.475 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -79.09 -18.29 53.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 175.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.0 mm -84.65 -50.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.82 -176.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 55.16 66.07 1.33 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.896 0.379 . . . . 0.0 111.903 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.52 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 7.5 ptp180 -119.51 142.61 48.15 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 174.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.415 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 4.0 mppt? -75.03 142.27 43.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.285 -171.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.18 134.47 33.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.058 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -112.92 24.67 12.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.879 0.847 . . . . 0.0 109.509 176.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.82 160.06 38.83 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.416 176.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.422 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 44.7 p -146.53 131.65 18.34 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.845 0.355 . . . . 0.0 110.553 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.7 t -80.59 91.22 5.78 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -55.99 -28.72 58.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.089 -177.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -54.11 -40.38 67.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.436 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 29.3 p -126.14 2.68 7.17 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.837 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm 65.01 36.32 7.52 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.03 0.532 . . . . 0.0 112.112 176.704 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -116.0 135.25 54.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.422 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 32.2 m -88.8 142.15 13.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.164 0.507 . . . . 0.0 111.574 -173.445 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.4 HD11 ' HA ' ' A' ' 35' ' ' ASN . 9.4 pt -138.6 149.86 23.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.812 -175.82 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.8 p -80.84 162.3 24.06 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -58.67 -36.18 73.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 118.156 0.435 . . . . 0.0 111.307 -174.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -69.95 -22.48 63.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.082 0.468 . . . . 0.0 110.754 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -106.29 16.12 25.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.054 0.454 . . . . 0.0 109.904 177.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.4 ' HA ' HD11 ' A' ' 30' ' ' ILE . 8.9 t30 -114.94 119.82 37.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.489 -177.034 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.1 pt -111.55 37.4 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 169.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.4 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 23.6 m-20 59.77 33.24 21.72 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.757 -170.249 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.475 ' SD ' ' HB2' ' A' ' 42' ' ' CYS . 52.6 tpp 172.05 151.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.537 -1.21 . . . . 0.0 107.837 -172.278 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.15 152.9 21.66 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -62.51 -18.12 61.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.105 -171.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.8 t -85.46 -18.78 32.57 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.475 ' HB2' ' SD ' ' A' ' 38' ' ' MET . 94.7 m -101.89 -18.89 15.51 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.225 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 48.4 t80 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.297 -178.223 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.816 0.341 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.88 137.66 38.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.149 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.4 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -158.5 129.89 6.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.177 0.513 . . . . 0.0 110.896 -178.753 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.429 ' C ' ' H ' ' A' ' 6' ' ' THR . 34.2 mmtp -87.45 -11.39 49.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.561 175.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -78.83 37.09 0.29 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.427 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.429 ' H ' ' C ' ' A' ' 4' ' ' LYS . 76.6 m -119.89 -19.64 7.84 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.447 -0.797 . . . . 0.0 108.887 172.703 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -115.48 137.66 51.83 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.224 -177.791 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.5 t -52.1 119.8 4.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.755 -175.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.9 m -65.72 -27.21 68.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.936 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -78.72 -23.97 45.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.98 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.542 ' SG ' ' HD3' ' A' ' 17' ' ' ARG . 13.3 m -80.94 144.39 55.13 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 174.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.418 ' HB2' HG12 ' A' ' 15' ' ' ILE . 33.5 Cg_exo -58.1 134.13 59.99 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.268 1.979 . . . . 0.0 111.306 178.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.8 m -58.47 -27.06 64.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.61 -171.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -79.83 -13.13 59.63 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.298 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.418 HG12 ' HB2' ' A' ' 12' ' ' PRO . 44.2 mm -86.77 -39.87 13.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.398 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 53.1 75.51 0.24 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.336 178.084 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.542 ' HD3' ' SG ' ' A' ' 11' ' ' CYS . 66.5 mtp180 -100.17 132.27 45.64 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 172.55 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -64.15 127.96 33.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.988 0.423 . . . . 0.0 110.375 -176.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.77 116.5 28.95 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.924 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -103.9 26.09 9.1 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.48 0.657 . . . . 0.0 109.928 178.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.444 ' HB3' HH11 ' A' ' 32' ' ' ARG . . . -149.7 154.77 39.08 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.787 177.696 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 p -145.92 128.1 15.71 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.055 0.455 . . . . 0.0 110.688 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 52.2 t -74.85 113.44 12.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.737 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.45 -24.94 67.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.745 -169.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.613 ' HE2' ' SG ' ' A' ' 42' ' ' CYS . 19.2 ttpt -77.82 -39.89 42.23 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.541 -175.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.7 p -112.29 -8.07 13.96 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.365 -0.534 . . . . 0.0 112.181 -173.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp 66.09 32.31 8.31 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.686 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -104.35 138.49 40.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 174.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.0 m -89.78 144.79 8.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.305 0.574 . . . . 0.0 111.549 -175.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.9 pt -139.6 154.29 24.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.861 -175.463 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.55 ' SG ' ' HB2' ' A' ' 34' ' ' HIS . 17.7 p -90.57 150.95 21.53 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.444 HH11 ' HB3' ' A' ' 21' ' ' ALA . 17.1 mmm180 -66.36 -21.32 66.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.48 -171.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -86.46 -7.82 58.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.37 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.55 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -99.21 -61.02 1.42 Allowed 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.805 178.194 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.55 HD21 ' C ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -132.25 152.52 51.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.658 -173.31 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.9 tp -94.6 79.56 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.514 0.673 . . . . 0.0 111.085 -177.717 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 71.28 -51.75 0.69 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.437 176.268 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.5 mmt -97.34 139.13 33.75 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 41' ' ' SER . 0.5 OUTLIER -86.69 146.06 26.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.93 0.395 . . . . 0.0 110.22 -175.699 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -64.8 -18.74 65.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.125 -176.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.533 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 49.3 m -66.74 -24.22 66.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.932 0.396 . . . . 0.0 110.118 174.669 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.613 ' SG ' ' HE2' ' A' ' 25' ' ' LYS . 71.7 m -103.51 -68.35 0.84 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.833 177.843 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.9 m-85 . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.632 -0.699 . . . . 0.0 110.784 -173.904 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 122.132 0.968 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' MET . . . . . 0.468 ' O ' ' HB2' ' A' ' 3' ' ' LYS . 25.5 ptt? -156.47 29.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.564 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 2' ' ' MET . 14.3 mptt 69.39 122.13 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.147 -171.682 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.456 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -76.15 -15.77 60.0 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.079 -179.324 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -83.65 39.18 0.66 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.52 177.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.4 m -104.03 -6.06 21.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.178 0.99 . . . . 0.0 108.99 173.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -113.91 138.34 50.45 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.026 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.43 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 17.9 t -54.53 121.34 8.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.454 -175.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.0 m -63.71 -27.48 69.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.271 -178.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.537 ' CE2' ' HB2' ' A' ' 39' ' ' CYS . 13.1 m-85 -85.57 -13.95 47.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.511 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.43 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 9.5 m -93.39 138.7 22.93 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 174.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.446 ' HB2' HG12 ' A' ' 15' ' ' ILE . 24.2 Cg_exo -59.86 132.4 44.85 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.058 1.839 . . . . 0.0 110.54 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.4 m -60.1 -23.29 63.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.137 -174.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -71.2 -19.16 62.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.804 0.335 . . . . 0.0 111.125 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.446 HG12 ' HB2' ' A' ' 12' ' ' PRO . 48.3 mm -81.68 -20.49 10.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.386 0.613 . . . . 0.0 110.598 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 58.47 35.06 24.45 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.573 176.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -82.0 115.92 21.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.151 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -70.49 158.26 36.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.662 -177.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.55 113.91 17.4 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.061 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -102.06 5.62 40.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.143 0.497 . . . . 0.0 110.158 177.385 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.44 153.98 37.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.327 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 m -141.42 138.58 33.05 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.957 0.408 . . . . 0.0 110.951 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.2 t -79.08 119.23 21.91 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.488 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 12.7 mptt -73.82 -19.01 60.87 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -172.385 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -85.66 -4.36 59.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.1 p -149.96 -12.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.371 -0.532 . . . . 0.0 112.291 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm 69.3 22.03 6.79 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.45 0.7 . . . . 0.0 111.807 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -85.51 140.4 30.69 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 170.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.9 m -93.95 143.85 10.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.247 0.546 . . . . 0.0 111.568 -173.629 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.462 HD13 ' HA ' ' A' ' 35' ' ' ASN . 6.6 pt -137.12 150.57 26.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.74 -176.073 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 23.7 p -83.08 164.65 20.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.356 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -75.18 14.68 0.52 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.926 0.393 . . . . 0.0 111.262 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.401 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 41.3 mt-10 -111.68 -9.57 14.12 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 171.728 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -130.03 27.55 5.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.649 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.462 ' HA ' HD13 ' A' ' 30' ' ' ILE . 7.8 t30 -115.04 125.52 53.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.589 0.709 . . . . 0.0 112.781 -170.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.4 pt -124.95 32.45 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.743 167.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.8 t70 61.47 20.25 11.02 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 122.549 1.166 . . . . 0.0 109.773 -172.05 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 43.6 ttm -171.85 158.86 4.99 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.186 -1.37 . . . . 0.0 107.642 -175.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.537 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 1.8 p -100.35 153.23 19.49 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 175.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -59.45 -22.62 61.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.738 -176.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.3 m -77.37 -4.72 46.62 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.1 m -122.08 -16.92 7.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.561 0.219 . . . . 0.0 111.282 175.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.6 t80 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.696 -175.536 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.851 0.358 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.9 mtt -83.19 132.55 35.06 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 176.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm 63.29 88.32 0.1 Allowed 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.743 0.652 . . . . 0.0 110.896 -176.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -61.97 -24.46 67.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.818 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -81.46 26.56 0.46 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.034 -176.5 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.2 m -95.98 -18.85 19.95 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.601 0.715 . . . . 0.0 109.817 175.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -105.03 139.15 40.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.645 -176.636 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.7 t -55.97 123.1 13.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.762 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.0 m -64.72 -27.59 69.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.396 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -76.62 -20.49 56.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.774 177.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 m -89.41 123.91 65.73 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.802 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -55.86 149.74 49.59 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.857 2.372 . . . . 0.0 111.754 176.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 49.2 m -63.69 -16.44 61.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.4 -174.482 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -83.25 -21.19 33.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.833 0.349 . . . . 0.0 110.835 175.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.9 mm -81.55 -40.55 18.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.302 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.7 mmm180 55.03 69.66 0.71 Allowed 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 173.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 66.5 mtm180 -119.41 127.76 53.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.929 0.395 . . . . 0.0 110.167 175.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.56 146.15 54.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.825 -177.241 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.452 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -94.82 124.4 38.84 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.291 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -96.55 -0.23 49.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.736 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.36 174.57 10.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.956 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.0 t -155.85 148.01 23.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.946 0.403 . . . . 0.0 110.261 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.2 t -83.15 111.43 18.91 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -62.8 -34.61 77.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.16 -175.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.67 -50.62 68.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.039 0.447 . . . . 0.0 111.088 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . 0.746 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 34.8 m -95.82 -10.48 28.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.133 -170.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 60.22 24.24 13.61 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.344 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -100.18 133.81 44.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.651 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.452 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 14.7 m -85.22 145.68 7.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.265 0.555 . . . . 0.0 111.21 -177.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 7.2 pt -139.31 146.41 25.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.042 -173.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.2 p -86.73 144.76 26.94 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 175.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -71.69 -7.41 47.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -174.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -79.88 -22.95 42.24 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 172.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.517 ' C ' HD21 ' A' ' 35' ' ' ASN . 3.1 m170 -97.81 -64.76 1.01 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.947 176.532 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.548 ' OD1' ' HA ' ' A' ' 39' ' ' CYS . 0.9 OUTLIER -133.17 126.86 32.58 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -178.564 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.4 tp -71.43 -34.82 54.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.102 -176.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -178.03 137.8 0.19 Allowed 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.5 ttp 65.67 114.97 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.746 0.654 . . . . 0.0 110.5 -174.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.548 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 1.4 p -79.32 173.43 12.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.109 -174.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -103.52 8.2 37.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.279 0.562 . . . . 0.0 110.574 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.8 t -111.86 54.08 0.71 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.746 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 54.4 m -92.92 -156.54 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.164 -177.607 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.539 -0.743 . . . . 0.0 110.343 -176.503 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 N--CA 1.484 1.244 0 CA-C-O 120.535 0.207 . . . . 0.0 111.428 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.4 mmt -83.13 125.33 31.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.371 . . . . 0.0 110.43 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 5' ' ' ARG . 21.8 tptm -152.82 129.58 10.88 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.041 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -62.18 110.12 1.52 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 173.099 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.419 ' HB3' HG13 ' A' ' 29' ' ' VAL . 97.1 mtt180 -103.93 47.44 0.88 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.167 0.508 . . . . 0.0 111.139 -175.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.8 m -97.64 -37.97 9.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.817 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -106.57 147.74 29.09 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.164 -176.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.418 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 15.0 t -61.21 128.93 38.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.151 -178.724 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.3 m -72.31 -25.09 61.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.489 -177.321 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -84.56 -16.46 42.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.065 0.46 . . . . 0.0 111.039 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.418 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 17.1 m -94.28 132.57 28.86 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.799 175.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.431 ' HB2' HG12 ' A' ' 15' ' ' ILE . 33.6 Cg_exo -55.59 140.63 83.81 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.578 2.185 . . . . 0.0 111.301 177.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.8 t -59.06 -27.87 65.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.066 -171.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.6 mmtt -84.63 -0.51 53.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 111.757 -179.012 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.431 HG12 ' HB2' ' A' ' 12' ' ' PRO . 51.6 mm -86.85 -26.41 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.425 0.631 . . . . 0.0 109.463 172.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 55.77 40.98 30.74 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.661 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -85.81 119.82 26.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.335 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -72.1 144.31 48.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.066 0.46 . . . . 0.0 111.038 -173.452 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.26 128.53 39.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.248 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.44 ' N ' HD21 ' A' ' 20' ' ' ASN . 0.9 OUTLIER -109.62 -15.61 14.13 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.855 0.36 . . . . 0.0 110.64 -179.551 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.4 162.03 28.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.022 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.408 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 13.7 m -135.44 135.35 40.49 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.454 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.3 t -78.25 111.99 14.78 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 175.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -67.65 -29.26 68.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.396 -169.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -68.37 -42.09 79.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.747 -175.106 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.5 -7.13 12.26 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.823 -174.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.0 mttp 71.66 17.49 5.52 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 177.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -89.06 136.41 33.03 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.419 HG13 ' HB3' ' A' ' 5' ' ' ARG . 18.4 m -92.35 147.64 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.069 0.462 . . . . 0.0 111.605 -176.863 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.459 HD11 ' HA ' ' A' ' 35' ' ' ASN . 2.5 pt -138.58 152.18 24.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.386 0.612 . . . . 0.0 111.515 -174.058 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 28.6 p -83.68 173.49 11.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.182 -178.363 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.711 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 48.6 mtp180 -72.38 -4.49 30.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.865 -175.329 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -103.75 -8.48 19.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.001 0.429 . . . . 0.0 110.264 174.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -122.52 7.63 9.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.039 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.711 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -96.31 124.86 40.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.788 0.804 . . . . 0.0 112.325 -177.903 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.5 mt -116.64 21.33 6.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 172.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 56.18 30.24 16.17 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 114.881 -1.054 . . . . 0.0 108.467 -163.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.1 tpt 177.92 139.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.592 -1.632 . . . . 0.0 106.592 -170.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.9 p -89.95 158.38 17.42 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.628 -0.829 . . . . 0.0 110.22 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -51.29 -43.29 61.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 123.424 0.453 . . . . 0.0 111.944 -176.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.0 m -66.39 -27.1 67.6 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -174.64 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 86.1 m -97.38 -12.86 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.818 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.1 t80 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.394 -0.812 . . . . 0.0 110.335 -177.067 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.759 0.314 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -119.83 55.21 0.99 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.184 0.516 . . . . 0.0 109.732 177.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -129.73 95.95 4.11 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.826 -177.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.496 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 4.0 mptp? -81.07 -28.25 35.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.899 -177.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -92.04 34.56 1.01 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.112 0.482 . . . . 0.0 111.529 -174.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.1 m -96.49 -24.18 16.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.82 0.819 . . . . 0.0 109.696 173.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -109.6 144.89 37.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.055 -178.081 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.7 t -52.21 126.45 18.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.756 -176.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.4 m -67.11 -33.33 75.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.15 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -69.07 -29.18 67.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.346 176.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.4 m -82.34 140.6 45.33 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.295 177.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -61.49 134.87 53.76 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.353 2.035 . . . . 0.0 110.847 174.302 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.7 m -59.6 -25.43 64.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.274 -173.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -75.29 -18.49 60.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.646 0.26 . . . . 0.0 111.486 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.9 mm -73.32 -38.06 52.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 83.9 mtm180 60.73 58.68 2.34 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.75 -178.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -104.23 122.76 46.04 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.495 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 11.2 mptt -68.96 145.54 53.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.461 -171.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.439 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -100.78 113.6 26.65 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -96.42 15.13 22.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.32 0.581 . . . . 0.0 110.169 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.65 157.35 43.39 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.55 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.46 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 15.1 m -142.57 132.32 24.06 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.767 0.318 . . . . 0.0 110.364 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.2 t -77.17 101.73 6.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -59.2 -27.08 65.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.863 -174.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -63.53 -51.65 64.54 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.9 p -110.86 -2.2 16.2 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.513 -0.475 . . . . 0.0 112.113 -173.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.13 34.34 13.72 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.283 0.563 . . . . 0.0 111.248 179.03 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -109.35 134.89 51.26 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.362 174.277 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 21.0 m -87.56 146.82 5.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.409 -172.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 11.2 pt -139.36 154.16 24.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.205 -174.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.6 p -94.18 148.66 21.97 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 176.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -65.14 -14.34 60.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.933 -173.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -85.34 -21.56 28.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.037 0.446 . . . . 0.0 110.297 177.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -92.27 -42.42 9.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.818 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -146.79 179.28 7.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.927 178.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.5 mt -90.96 -66.95 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.145 0.498 . . . . 0.0 110.337 177.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -142.33 -42.65 0.33 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.745 -177.221 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.6 mtm -101.03 133.6 45.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.101 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -86.74 150.56 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 177.403 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -105.85 26.01 10.17 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 120.918 0.39 . . . . 0.0 110.989 -172.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.9 m -116.19 18.37 15.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.959 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.1 p -127.94 -86.34 0.58 Allowed 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.179 177.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.0 p90 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 119.03 -0.509 . . . . 0.0 110.472 -179.351 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.725 0.298 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 15.8 tpt -163.39 121.83 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.568 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -129.74 121.22 26.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.22 0.533 . . . . 0.0 110.432 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -87.14 -47.99 8.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.609 -177.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -78.85 4.73 13.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.387 -174.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.2 m -88.81 -17.21 30.21 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.818 0.818 . . . . 0.0 109.225 172.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -112.55 147.21 37.09 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.342 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.0 t -60.3 123.67 17.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.705 -176.154 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.7 m -66.58 -29.56 69.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.233 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -80.74 -18.02 49.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.928 -178.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.646 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 11.5 m -88.49 133.93 35.34 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.663 174.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 33.6 Cg_exo -57.98 141.96 96.41 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.471 2.114 . . . . 0.0 111.546 178.604 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.8 m -63.21 -21.48 66.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.8 -0.637 . . . . 0.0 112.147 -174.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -78.41 -18.17 55.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 176.226 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.8 mm -81.84 -36.32 14.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.152 178.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 54.95 67.05 1.08 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.942 0.401 . . . . 0.0 111.089 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.646 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 39.2 ttm180 -110.01 120.76 43.48 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.841 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -61.11 148.36 40.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.221 -176.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.06 111.89 23.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.814 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -87.45 -22.42 24.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.93 0.395 . . . . 0.0 110.79 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.07 162.41 17.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.164 0.507 . . . . 0.0 110.781 -177.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.6 m -142.27 148.44 38.08 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.536 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.0 t -93.1 117.92 30.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.088 0.47 . . . . 0.0 110.136 179.277 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -57.34 -41.0 79.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.021 -0.991 . . . . 0.0 113.179 -169.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -75.2 -56.36 4.8 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -174.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.5 p -86.91 -13.25 45.31 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.521 -174.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp 69.14 19.22 8.04 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 122.92 0.488 . . . . 0.0 111.81 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -86.51 138.83 31.42 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 174.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.9 m -92.93 141.76 14.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.113 0.482 . . . . 0.0 110.665 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.9 pt -139.33 146.81 25.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.396 0.617 . . . . 0.0 111.475 -172.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.9 p -81.69 163.2 22.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.11 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.495 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 95.0 mtt180 -67.16 -4.3 9.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.788 -179.145 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -102.57 -5.75 23.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.771 0.32 . . . . 0.0 111.054 176.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -124.07 -2.21 8.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.294 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.495 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 24.7 p-10 -104.63 146.66 28.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.663 0.744 . . . . 0.0 112.381 -170.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.2 pt -113.91 36.04 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 163.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 58.21 32.52 22.13 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 114.315 -1.311 . . . . 0.0 109.451 -168.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 27.3 ttt 171.39 160.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 106.098 -1.815 . . . . 0.0 106.098 -172.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.493 ' SG ' ' HB3' ' A' ' 41' ' ' SER . 0.5 OUTLIER -101.68 142.33 33.2 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.136 175.579 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -72.99 -7.19 50.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.287 -175.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.493 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 28.1 t -75.28 -20.48 59.13 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 175.579 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 89.3 m -98.41 0.58 45.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.219 174.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.4 t80 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.62 -0.705 . . . . 0.0 109.775 -179.039 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.7 tpt -79.16 127.19 31.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.694 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt 64.05 96.83 0.04 OUTLIER 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.758 0.661 . . . . 0.0 112.149 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -68.4 -29.46 68.16 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 172.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -80.33 47.68 0.95 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.183 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.4 m -109.11 -16.93 13.99 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.04 0.924 . . . . 0.0 108.8 172.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . 0.4 ' CE2' ' HD3' ' A' ' 18' ' ' LYS . 96.9 m-85 -119.24 142.8 47.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.882 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.413 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 18.0 t -52.31 121.15 6.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.112 -173.292 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.4 m -65.46 -24.02 67.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.102 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.555 ' OH ' ' HB2' ' A' ' 39' ' ' CYS . 6.7 m-85 -83.92 -19.48 34.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.887 178.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.713 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 5.6 m -89.82 156.78 46.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.48 178.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.423 ' HB2' HG12 ' A' ' 15' ' ' ILE . 5.2 Cg_exo -73.67 127.44 11.65 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.479 2.119 . . . . 0.0 110.468 173.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.2 m -57.29 -30.79 65.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.38 -171.197 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -73.03 -13.28 61.19 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.423 HG12 ' HB2' ' A' ' 12' ' ' PRO . 34.8 mm -85.79 -16.7 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.711 0.767 . . . . 0.0 110.105 178.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 57.39 41.62 26.06 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 114.539 -1.209 . . . . 0.0 112.536 172.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.713 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 84.5 mtt180 -83.24 120.99 26.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.946 0.403 . . . . 0.0 110.506 178.421 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.4 ' HD3' ' CE2' ' A' ' 7' ' ' TYR . 72.4 mmtt -63.81 140.72 58.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.571 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.407 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -97.09 98.92 10.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.22 176.342 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -84.94 1.23 48.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.973 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.54 162.42 34.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.357 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -147.36 134.17 20.1 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.5 t -68.74 119.26 12.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.463 -178.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -58.33 -35.25 71.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.678 -170.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.529 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 60.3 tttm -79.03 -51.6 9.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -173.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.9 p -98.02 -9.54 25.86 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -172.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt 67.87 18.72 9.62 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 122.963 0.505 . . . . 0.0 112.275 177.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -80.36 149.44 30.23 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 172.34 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.407 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 21.9 m -98.35 140.3 18.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.205 0.526 . . . . 0.0 111.222 -176.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 15.0 pt -138.18 153.8 27.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.835 -174.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.494 ' SG ' ' HB2' ' A' ' 34' ' ' HIS . 18.5 p -91.52 147.81 22.75 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.843 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -68.47 -7.09 28.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.531 -176.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -89.3 -21.8 22.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.445 175.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . 0.514 ' C ' HD21 ' A' ' 35' ' ' ASN . 0.2 OUTLIER -91.57 -58.27 2.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.96 0.409 . . . . 0.0 110.565 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.514 HD21 ' C ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -129.67 -172.28 2.72 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.782 -176.82 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.617 HG22 ' H ' ' A' ' 37' ' ' ASP . 3.6 tp -91.81 -90.98 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.702 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.617 ' H ' HG22 ' A' ' 36' ' ' ILE . 8.3 p-10 -134.11 17.88 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.997 0.903 . . . . 0.0 109.094 172.006 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 55.8 ttp -150.78 135.84 17.58 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.205 -176.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.555 ' HB2' ' OH ' ' A' ' 10' ' ' TYR . 1.3 p -82.79 156.84 23.47 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -178.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -77.58 7.22 5.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.336 -0.393 . . . . 0.0 112.044 -173.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.0 m -107.13 14.88 25.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.942 0.401 . . . . 0.0 110.955 177.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.529 ' SG ' ' HB3' ' A' ' 25' ' ' LYS . 73.6 m -128.52 143.16 50.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 176.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 . . . . . 0 C--O 1.249 1.061 0 O-C-N 124.035 0.835 . . . . 0.0 111.412 178.961 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 120.853 0.359 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 22.9 mmt -111.91 124.32 52.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.405 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -87.29 69.2 9.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.198 0.523 . . . . 0.0 110.52 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -81.11 -36.31 30.52 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.781 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -87.56 17.2 4.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.741 -177.264 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.3 m -108.25 -27.99 9.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.445 0.641 . . . . 0.0 110.32 177.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -112.05 143.89 42.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.744 -176.13 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 t -54.77 120.26 6.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.763 -176.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.3 m -65.68 -26.78 67.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.144 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -81.02 -17.11 51.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.514 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.9 m -88.69 140.93 29.75 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.19 177.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -61.56 138.68 77.12 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.206 1.937 . . . . 0.0 110.461 174.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.2 m -60.68 -23.19 64.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.323 -172.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -80.63 -12.45 59.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.653 0.263 . . . . 0.0 111.669 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.2 mm -87.46 -32.9 6.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 55.29 71.81 0.52 Allowed 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.094 0.474 . . . . 0.0 111.943 175.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 mmm180 -107.52 114.65 28.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.25 175.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 133.03 52.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.124 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.44 111.62 21.32 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.037 -177.169 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -94.3 1.89 55.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.162 0.506 . . . . 0.0 110.437 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.55 163.69 28.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.723 177.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.6 m -144.91 157.02 44.29 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.912 0.387 . . . . 0.0 110.555 -178.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.1 t -105.2 98.96 8.59 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -66.58 -11.65 54.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.864 0.364 . . . . 0.0 111.502 -174.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -74.99 -25.65 58.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.576 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 29.4 p -138.67 -5.51 1.54 Allowed 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt 71.34 22.38 4.31 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.18 0.592 . . . . 0.0 112.468 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -89.48 139.68 30.28 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 171.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.5 m -99.4 144.6 11.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.752 0.311 . . . . 0.0 110.965 -176.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.453 HD12 ' HA ' ' A' ' 35' ' ' ASN . 5.0 pt -138.93 149.16 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.122 0.487 . . . . 0.0 111.442 -173.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.474 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 19.8 p -84.26 168.45 15.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.858 -178.646 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.491 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 41.0 mmt180 -72.75 -1.33 16.07 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -177.327 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -99.76 -10.72 21.53 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 172.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -128.95 22.24 5.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.214 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.491 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 0.9 OUTLIER -106.72 125.84 51.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.815 0.817 . . . . 0.0 111.881 -173.668 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.458 ' HB ' ' O ' ' A' ' 38' ' ' MET . 16.1 mt -108.53 10.24 9.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 164.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 61.86 21.13 12.03 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 114.431 -1.258 . . . . 0.0 109.077 -166.049 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.458 ' O ' ' HB ' ' A' ' 36' ' ' ILE . 57.3 ttp -172.65 131.92 0.56 Allowed 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 113.001 -1.909 . . . . 0.0 106.603 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.604 ' SG ' ' HB3' ' A' ' 41' ' ' SER . 1.9 p -76.17 156.08 33.99 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -174.559 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -67.06 -15.74 63.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.804 -176.215 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.604 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 47.6 t -76.86 -18.08 58.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.619 177.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 81.2 m -109.42 -0.64 18.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.985 0.422 . . . . 0.0 110.411 175.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.2 t80 . . . . . 0 C--O 1.251 1.16 0 CA-C-O 118.711 -0.661 . . . . 0.0 110.474 -179.364 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.6 ptm -142.89 149.82 38.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.149 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? 63.93 75.68 0.38 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.421 0.629 . . . . 0.0 111.495 -179.525 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.412 ' C ' ' H ' ' A' ' 6' ' ' THR . 3.3 mmmp? -75.78 -18.9 59.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.598 174.718 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -75.61 18.06 0.26 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.396 178.657 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.412 ' H ' ' C ' ' A' ' 4' ' ' LYS . 35.9 m -85.92 -20.05 29.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.955 0.883 . . . . 0.0 109.122 171.138 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -124.16 151.8 43.59 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.349 -178.234 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.2 t -52.67 122.85 9.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.159 -0.928 . . . . 0.0 112.018 -175.353 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.5 m -64.29 -27.69 69.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.19 -0.913 . . . . 0.0 111.229 -179.564 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -80.86 -25.36 37.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.162 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 m -83.0 135.56 44.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.477 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.24 143.36 97.19 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.389 2.059 . . . . 0.0 111.669 178.68 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.1 m -64.19 -15.4 59.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.723 -177.388 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -77.94 -18.7 55.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.962 0.41 . . . . 0.0 110.5 175.635 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.6 mm -89.68 -47.83 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.127 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 59.77 70.97 0.6 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.974 0.416 . . . . 0.0 110.55 -177.41 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -98.77 126.88 44.53 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.654 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -56.57 120.68 8.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.063 -177.356 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.61 96.66 9.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.966 177.14 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -78.45 -12.86 60.03 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.025 0.44 . . . . 0.0 110.523 -179.103 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.96 168.18 16.37 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.1 -177.667 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.5 p -144.44 142.4 30.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.698 177.695 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.1 t -79.24 109.05 13.22 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.624 -178.013 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -76.33 69.47 2.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.84 -175.593 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -172.47 -46.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.347 174.98 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.1 p -106.19 -13.83 15.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.358 177.668 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm 69.34 18.86 7.89 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.274 -0.875 . . . . 0.0 112.067 176.649 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -76.51 133.12 39.85 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 171.446 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.7 m -84.97 138.37 19.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.011 0.434 . . . . 0.0 109.978 -178.887 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.5 pt -139.77 153.49 23.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.322 0.582 . . . . 0.0 111.516 -172.229 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.5 p -89.18 140.59 29.31 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 170.597 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.533 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 19.9 mtm180 -77.25 4.53 10.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.183 0.516 . . . . 0.0 111.123 -177.806 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -84.86 -16.27 41.82 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 168.938 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -100.55 -56.86 2.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.216 174.681 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.533 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 2.7 m120 -144.67 144.03 31.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.595 -178.909 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.8 mm -87.58 84.01 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.425 -174.888 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.477 ' OD1' ' HD3' ' A' ' 32' ' ' ARG . 8.2 m-20 60.47 11.4 2.96 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.809 174.672 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 43.6 tpp -154.4 120.47 5.3 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.732 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.484 ' SG ' ' HB3' ' A' ' 41' ' ' SER . 0.8 OUTLIER -78.68 148.58 33.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.102 0.477 . . . . 0.0 109.923 -174.424 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -68.37 -6.77 26.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.066 -176.792 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.484 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 43.4 t -83.74 -12.81 55.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 110.294 176.411 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 97.8 m -106.02 -164.79 1.04 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.253 176.86 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.6 p90 . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.418 -0.801 . . . . 0.0 110.883 -178.067 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 25.4 mmt -111.44 122.82 48.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.835 0.35 . . . . 0.0 110.38 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . 0.503 ' HB3' ' OG1' ' A' ' 6' ' ' THR . 14.5 mmmm -115.29 70.14 0.74 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.138 0.495 . . . . 0.0 110.034 -179.209 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -71.44 -27.23 63.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.197 -177.981 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 -98.58 28.96 3.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.594 0.711 . . . . 0.0 110.636 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.503 ' OG1' ' HB3' ' A' ' 3' ' ' LYS . 88.8 m -112.75 -33.54 6.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.563 172.863 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -103.74 144.97 30.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.627 177.715 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.6 t -51.77 120.73 5.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.361 -176.047 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.0 m -66.99 -30.41 70.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.384 -176.226 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.439 ' CE1' ' HB2' ' A' ' 39' ' ' CYS . 34.0 m-85 -82.93 -11.6 58.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.969 0.414 . . . . 0.0 111.161 -179.784 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 m -85.81 144.56 39.7 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 171.52 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.415 ' HB2' HG12 ' A' ' 15' ' ' ILE . 23.5 Cg_exo -62.86 136.18 55.92 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.389 2.06 . . . . 0.0 110.897 176.546 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.8 m -56.99 -27.09 61.23 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -172.064 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -76.39 -23.59 54.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.751 0.31 . . . . 0.0 111.341 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.415 HG12 ' HB2' ' A' ' 12' ' ' PRO . 46.9 mm -72.96 -35.37 48.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.398 -178.808 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 54.6 66.14 1.31 Allowed 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.419 0.628 . . . . 0.0 111.098 179.077 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -102.4 119.6 39.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.387 178.112 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -62.04 136.22 57.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.785 0.326 . . . . 0.0 110.416 -179.331 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.24 147.64 34.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.456 178.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -108.75 -24.01 11.5 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.111 0.481 . . . . 0.0 110.14 -178.507 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.2 168.31 21.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.145 -178.391 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.1 m -126.3 133.39 51.41 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.132 179.172 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.6 t -70.76 109.64 5.09 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.556 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.415 ' HB2' ' HE2' ' A' ' 38' ' ' MET . 72.7 mmtt -63.88 -20.94 66.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.597 -171.385 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.451 ' HG2' ' SD ' ' A' ' 38' ' ' MET . 14.6 mmmm -80.86 -18.1 48.49 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -174.623 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.3 p -140.96 -2.96 1.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.113 -0.635 . . . . 0.0 112.676 -178.334 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt 66.51 20.39 10.86 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 122.565 0.346 . . . . 0.0 111.817 178.64 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -93.56 136.68 33.6 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 175.181 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.4 m -93.49 145.0 8.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.304 -171.971 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.474 HD13 ' HA ' ' A' ' 35' ' ' ASN . 6.1 pt -137.78 153.51 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.396 0.617 . . . . 0.0 111.884 -172.864 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.9 p -91.23 163.73 14.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.289 177.069 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.433 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 14.6 mmm180 -54.95 -40.32 69.82 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 118.089 0.404 . . . . 0.0 111.433 -177.892 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.42 -22.35 66.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.022 -178.96 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -115.7 15.4 16.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.54 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.474 ' HA ' HD13 ' A' ' 30' ' ' ILE . 6.6 t30 -107.76 124.34 49.9 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -171.004 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.492 ' C ' ' H ' ' A' ' 38' ' ' MET . 34.9 pt -121.83 37.87 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 166.432 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 p30 54.79 8.1 0.2 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.444 1.498 . . . . 0.0 111.543 -167.695 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' MET . . . . . 0.492 ' H ' ' C ' ' A' ' 36' ' ' ILE . 22.0 mmt -154.02 173.27 16.23 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 177.442 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.439 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -107.38 148.0 29.64 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.145 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -61.3 -16.3 44.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.814 -172.287 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.2 t -77.51 -18.21 57.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.892 0.377 . . . . 0.0 110.541 178.14 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 76.7 m -106.78 -0.46 23.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.939 178.853 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.8 t80 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.687 -0.673 . . . . 0.0 110.164 -179.093 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 121.083 0.468 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.33 51.86 1.06 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.424 0.631 . . . . 0.0 111.022 -177.321 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -105.55 61.37 0.67 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.249 177.644 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -109.4 28.94 8.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.016 178.414 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 -83.61 43.41 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.125 -175.689 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.5 m -88.68 -34.38 17.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.402 0.62 . . . . 0.0 110.688 178.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -113.52 152.92 29.56 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.736 -175.294 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.45 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 8.6 t -55.05 125.66 21.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.457 -178.477 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.9 m -63.13 -27.78 69.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.818 -176.896 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.486 ' CE2' ' HB2' ' A' ' 39' ' ' CYS . 11.3 m-85 -85.44 -20.43 29.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.217 0.532 . . . . 0.0 110.989 -179.899 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.45 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 20.0 m -92.96 147.89 34.76 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.948 177.513 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.454 ' HB2' HG12 ' A' ' 15' ' ' ILE . 15.4 Cg_exo -67.34 126.69 15.35 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.892 1.728 . . . . 0.0 110.67 175.79 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.9 m -61.15 -21.94 64.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.068 -175.164 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -82.08 -7.14 59.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 111.343 178.245 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.454 HG12 ' HB2' ' A' ' 12' ' ' PRO . 48.2 mm -92.88 -11.87 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.921 0.867 . . . . 0.0 109.593 175.11 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 61.16 44.19 10.29 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.354 -1.294 . . . . 0.0 112.437 172.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -84.78 107.13 16.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.005 0.431 . . . . 0.0 110.08 176.806 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.18 134.28 53.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.597 -177.026 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.431 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -81.84 99.19 8.88 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.764 179.443 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.468 ' N ' HD21 ' A' ' 20' ' ' ASN . 0.9 OUTLIER -84.37 6.01 24.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.555 178.971 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.89 171.09 18.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.006 0.432 . . . . 0.0 110.803 -178.209 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.1 p -146.37 136.55 23.66 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.953 178.014 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.488 ' HA ' ' O ' ' A' ' 37' ' ' ASP . 41.4 t -74.57 109.84 8.37 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 176.474 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -67.74 -15.39 63.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.543 -172.897 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 26.9 tptp -78.25 -30.19 48.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.605 -177.913 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.1 p -131.18 -5.21 3.86 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -177.517 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt 63.56 31.74 14.53 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 122.877 0.471 . . . . 0.0 111.716 -177.987 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -93.71 127.92 39.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 170.053 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.431 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 29.9 m -76.72 140.87 16.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 120.976 0.417 . . . . 0.0 110.836 -177.233 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.0 pt -140.61 164.42 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.499 -176.723 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.2 p -95.6 148.87 22.07 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.563 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.472 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 79.0 mtm180 -69.99 -5.38 25.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.269 0.557 . . . . 0.0 110.36 179.254 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -86.02 -12.7 49.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.525 175.187 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -107.12 -42.44 4.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.943 175.665 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.472 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 14.3 t-20 -172.83 166.42 5.25 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 174.744 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.406 HG21 ' OD1' ' A' ' 37' ' ' ASP . 8.4 tp -88.05 -32.5 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.186 -175.072 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.488 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 6.1 p-10 -166.9 10.73 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 178.834 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 85.6 mtp -131.96 125.39 31.47 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.883 -0.51 . . . . 0.0 111.07 -176.759 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.486 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -97.02 154.37 17.35 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 176.175 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -75.4 -8.62 57.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.88 -173.998 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -83.63 0.39 47.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.073 0.464 . . . . 0.0 110.149 177.6 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.457 ' SG ' ' HB3' ' A' ' 25' ' ' LYS . 68.6 m -120.46 175.54 5.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.291 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--O 1.251 1.143 0 O-C-N 124.237 0.961 . . . . 0.0 111.427 175.449 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 38.7 t . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.806 0.336 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.0 mmt -117.64 157.06 27.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.154 -179.202 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? 62.17 55.08 2.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.373 0.606 . . . . 0.0 110.477 -177.255 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -80.62 -24.07 39.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.689 178.364 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -70.87 -4.04 22.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.765 -177.872 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.0 m -76.54 -27.57 55.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.218 0.532 . . . . 0.0 110.261 176.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -113.08 137.46 51.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.012 -176.169 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.2 t -58.25 127.25 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.639 -177.596 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.4 m -67.62 -30.49 70.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.209 -178.762 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.547 ' CE1' ' HB2' ' A' ' 39' ' ' CYS . 7.4 m-85 -84.13 -7.12 59.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.192 0.52 . . . . 0.0 111.23 -179.068 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.0 m -99.95 133.34 21.7 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.028 175.09 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.416 ' HB2' HG12 ' A' ' 15' ' ' ILE . 36.3 Cg_exo -55.16 141.62 79.69 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.488 2.125 . . . . 0.0 110.92 175.134 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.8 t -60.28 -23.73 64.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.124 -171.04 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -82.42 -9.42 59.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.744 0.307 . . . . 0.0 111.574 -179.424 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.416 HG12 ' HB2' ' A' ' 12' ' ' PRO . 50.3 mm -81.01 -27.77 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.367 0.603 . . . . 0.0 110.174 178.317 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 55.67 31.92 18.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.617 178.624 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -78.84 118.6 21.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.652 179.423 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.407 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 12.1 mptt -72.82 149.48 43.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.218 -176.787 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.45 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -90.13 139.46 30.61 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.311 -178.122 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -102.78 -25.31 13.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.092 0.472 . . . . 0.0 110.454 -178.689 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.76 162.93 31.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.719 -176.533 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.3 m -127.27 133.27 50.19 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.304 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.4 t -71.6 109.4 5.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.93 178.8 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -58.42 -25.89 62.66 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 122.831 0.452 . . . . 0.0 111.82 -175.916 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -75.93 -36.29 59.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -175.249 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 32.0 p -127.14 -3.26 6.34 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.134 -0.627 . . . . 0.0 112.288 -174.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt 67.75 13.79 9.31 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.091 0.557 . . . . 0.0 112.421 179.649 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -85.63 142.75 28.86 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.383 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.45 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 22.2 m -98.08 149.2 5.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.25 0.548 . . . . 0.0 112.076 -171.746 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.468 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.1 pt -139.87 147.63 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.991 -176.042 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.7 p -83.97 174.11 10.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.761 -176.612 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' ARG . . . . . 0.47 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 55.0 ttp180 -56.73 -44.01 81.2 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.364 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -83.77 8.21 15.37 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.583 -179.344 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -130.91 7.85 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.396 176.093 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . 0.47 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 1.1 p-10 -104.01 126.8 51.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.853 0.835 . . . . 0.0 112.342 -173.537 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 8.8 mt -110.42 13.64 8.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 114.336 -1.302 . . . . 0.0 107.691 168.037 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 60.62 21.38 11.25 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.613 -1.176 . . . . 0.0 108.754 -164.911 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 52.2 ttm -170.48 135.56 1.22 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 113.324 -1.762 . . . . 0.0 106.95 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.547 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 1.5 p -83.75 152.67 24.55 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -177.323 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -58.38 -21.46 50.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.388 -171.851 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.3 t -79.68 -18.15 52.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.69 0.281 . . . . 0.0 111.067 -179.479 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 64.3 m -109.32 -12.15 14.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.587 0.232 . . . . 0.0 110.859 178.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.243 -177.333 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 121.452 0.644 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 m -97.36 -13.24 21.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.019 0.914 . . . . 0.0 108.935 172.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -117.67 141.71 48.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.49 -176.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.0 t -51.76 122.07 7.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.786 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 m -61.6 -25.09 67.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.407 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -83.49 -21.46 32.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.803 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 13.3 m -89.98 129.36 46.42 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.165 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.18 143.93 96.15 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 122.56 2.174 . . . . 0.0 111.615 177.023 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.5 m -64.16 -17.33 63.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.154 -175.264 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -79.87 -20.31 46.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.929 0.395 . . . . 0.0 110.734 175.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.4 mm -84.55 -35.74 10.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.753 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 51.7 67.35 0.97 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.028 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 17' ' ' ARG . 5.7 tpp180 -98.86 119.1 37.05 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 174.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -59.37 134.86 57.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.867 0.365 . . . . 0.0 110.179 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.12 104.21 16.81 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.722 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -83.22 -16.87 44.79 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.632 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.28 165.78 16.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.353 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 24.2 m -147.65 131.88 17.43 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.853 0.359 . . . . 0.0 110.593 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 37' ' ' ASP . 43.6 t -77.72 121.06 23.51 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.477 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -70.67 -37.2 73.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.195 -168.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -68.31 -35.77 78.3 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.106 0.409 . . . . 0.0 112.106 -174.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.535 ' SG ' ' HB2' ' A' ' 28' ' ' LYS . 30.3 p -112.43 -12.77 13.47 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.566 -177.345 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 69.08 18.61 8.27 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.281 0.632 . . . . 0.0 111.635 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.535 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 14.2 mptt -83.15 130.52 35.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.96 0.409 . . . . 0.0 109.913 174.128 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.415 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 27.8 m -82.69 138.97 18.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.361 -178.006 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.7 pt -138.62 158.14 30.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.362 0.601 . . . . 0.0 111.338 -173.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.507 ' SG ' ' HB3' ' A' ' 33' ' ' GLU . 14.4 p -94.19 142.96 26.81 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 173.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -69.38 -10.98 60.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.404 0.621 . . . . 0.0 110.256 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.507 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 42.8 tt0 -73.62 -19.41 60.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.634 173.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -104.71 -56.66 2.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.608 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 38' ' ' MET . 1.8 m120 -143.97 140.74 29.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.618 -176.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.0 mm -87.02 92.3 3.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.69 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.434 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 15.3 t70 74.1 -43.88 0.55 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.608 174.042 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.406 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 51.2 ttp -106.75 131.42 53.9 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.289 -0.257 . . . . 0.0 110.324 -178.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -81.81 152.9 26.71 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -65.84 -16.35 63.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.692 -174.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -177.842 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.8 mtm-85 . . . . . 0 CA--C 1.528 0.115 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.5 m -108.56 -29.45 8.75 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.582 0.706 . . . . 0.0 109.598 171.103 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -105.12 143.05 33.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.933 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.4 t -54.5 123.9 14.5 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.784 -177.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.6 m -65.49 -29.45 70.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.234 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -80.99 -20.21 42.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.951 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.1 m -83.92 128.67 62.07 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -51.63 153.5 10.81 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.986 2.457 . . . . 0.0 111.52 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.0 m -64.3 -23.46 67.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.217 -171.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -84.1 -12.01 55.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.119 0.485 . . . . 0.0 110.564 175.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.2 mm -101.95 78.43 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.6 mtm180 -75.97 85.05 2.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.685 -174.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -115.15 126.25 54.39 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.456 173.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -68.02 133.48 49.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.439 -176.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.82 145.05 50.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.195 -177.548 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -103.0 -37.45 7.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.483 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.9 166.02 19.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.333 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 m -129.91 142.31 50.67 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.316 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.2 t -89.81 107.17 18.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.406 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 24' ' ' LYS . 13.4 mptt -64.14 -26.37 68.5 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.855 -170.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -64.34 -40.39 95.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.622 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' CYS . . . . . 0.422 ' SG ' ' HG2' ' A' ' 28' ' ' LYS . 28.5 p -120.26 -8.19 9.7 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -173.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.2 mttt 66.08 31.58 8.82 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.134 0.574 . . . . 0.0 111.6 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HG2' ' SG ' ' A' ' 26' ' ' CYS . 34.6 mmtp -99.15 148.46 24.06 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.4 m -105.07 146.98 11.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 120.938 0.399 . . . . 0.0 110.97 -175.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.9 pt -138.18 150.25 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.12 0.486 . . . . 0.0 111.755 -172.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.6 p -89.6 170.71 10.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.406 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.586 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 26.3 mmm180 -59.06 -26.55 64.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.943 0.401 . . . . 0.0 111.594 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -83.39 -11.32 57.72 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.92 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -131.71 22.85 4.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.558 -176.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.586 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -116.99 140.06 49.92 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -178.166 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.3 pt -127.59 34.83 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 114.72 -1.127 . . . . 0.0 108.209 167.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 59.39 26.41 15.3 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.264 -169.572 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 48.4 ttm -179.58 157.96 0.79 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 -176.308 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.94 148.03 23.88 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.594 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -58.79 -26.15 63.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.385 -172.384 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.4 t . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.267 -179.342 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 . . . . . 0 N--CA 1.462 0.157 0 CA-C-O 121.12 0.486 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.44 HG22 ' HG3' ' A' ' 18' ' ' LYS . 32.8 m -66.28 -27.73 68.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.597 174.172 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -108.65 142.14 39.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.994 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.412 ' HA ' ' HB2' ' A' ' 19' ' ' ALA . 4.1 t -57.32 127.57 32.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.198 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.0 m -64.38 -28.2 69.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.324 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -80.42 -18.71 48.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.047 0.451 . . . . 0.0 110.528 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.1 m -94.81 142.95 25.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.477 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -67.23 135.12 35.93 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.116 1.877 . . . . 0.0 110.48 171.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.0 m -58.56 -26.97 64.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.717 -176.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -72.78 -14.32 61.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 111.098 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.1 mm -82.85 -21.38 9.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.541 0.686 . . . . 0.0 109.959 176.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 59.52 34.26 22.43 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.459 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.436 ' NE ' ' HA ' ' A' ' 17' ' ' ARG . 4.7 tpm_? -85.37 103.41 14.25 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HG3' HG22 ' A' ' 6' ' ' THR . 0.0 OUTLIER -63.56 144.23 57.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.536 -177.203 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.412 ' HB2' ' HA ' ' A' ' 8' ' ' CYS . . . -94.56 100.16 12.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.164 -178.407 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -84.21 0.52 48.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.924 0.392 . . . . 0.0 110.741 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.62 163.85 28.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.909 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 15.9 p -147.94 125.52 11.75 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.847 0.355 . . . . 0.0 110.919 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -74.03 100.01 3.47 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.636 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -69.15 -13.69 62.56 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.652 -174.449 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -73.15 -34.24 65.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.067 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 29.6 p -126.98 -3.42 6.43 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.953 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 67.98 36.64 3.29 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.152 0.581 . . . . 0.0 111.66 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.9 mttp -111.58 134.65 53.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.554 174.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.414 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 21.5 m -84.36 144.69 9.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.068 -174.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.48 HD12 ' HB2' ' A' ' 35' ' ' ASN . 9.7 pt -141.67 155.21 20.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.258 0.551 . . . . 0.0 111.42 -174.376 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.4 p -93.44 144.96 24.86 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 174.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -71.32 -2.6 16.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.937 0.399 . . . . 0.0 111.153 -176.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -83.13 -25.79 31.58 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 172.624 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -95.22 -61.73 1.43 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.013 177.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.48 ' HB2' HD12 ' A' ' 30' ' ' ILE . 11.3 m120 -134.94 136.1 42.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.562 -177.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.1 tp -69.39 -30.34 45.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.784 -171.43 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.444 ' O ' HD11 ' A' ' 30' ' ' ILE . 31.4 t70 -164.96 -52.03 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 111.273 -177.191 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.8 mmt -101.9 143.01 32.32 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 174.205 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.411 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 1.9 p -76.83 155.69 32.8 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -176.475 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.44 -20.56 66.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.682 -175.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.8 t . . . . . 0 C--N 1.326 -0.422 0 CA-C-O 120.658 0.266 . . . . 0.0 110.727 179.445 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 121.377 0.608 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.8 m -106.1 -16.48 14.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.097 0.951 . . . . 0.0 109.006 173.104 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -107.24 141.82 37.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.041 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.9 t -53.26 124.77 15.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.788 -175.437 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.0 m -70.68 -27.43 64.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.61 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -77.77 -19.88 54.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.144 0.497 . . . . 0.0 110.526 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.3 m -88.6 139.48 29.71 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.115 175.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -62.66 141.21 84.81 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.502 2.135 . . . . 0.0 111.282 175.053 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 m -60.55 -23.74 64.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.013 -175.835 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -75.2 -18.48 60.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.804 0.335 . . . . 0.0 111.246 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.3 mm -81.45 -32.3 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 54.26 52.97 11.64 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.483 0.658 . . . . 0.0 111.025 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.4 tpt85 -92.26 116.41 28.94 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.669 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -59.51 142.08 53.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.444 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.31 140.24 29.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.366 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -112.28 -12.48 13.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.322 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.22 170.27 16.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.841 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.418 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 14.1 m -144.04 131.26 20.73 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.777 0.323 . . . . 0.0 110.639 -178.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.9 t -79.75 100.92 8.16 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 176.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -56.66 -30.74 63.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.965 -174.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -69.04 -31.36 70.08 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -174.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.1 p -125.92 -3.84 7.02 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.712 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.425 ' HB3' ' NZ ' ' A' ' 27' ' ' LYS . 3.9 mmmp? 66.65 28.59 9.12 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.108 0.563 . . . . 0.0 111.852 178.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -97.72 136.4 38.12 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 173.562 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 23.6 m -96.7 147.14 6.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.954 0.407 . . . . 0.0 111.234 -175.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.5 pt -138.7 151.79 24.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.759 -172.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.1 p -91.86 168.54 11.36 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.481 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.598 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 29.4 mmm180 -54.86 -36.43 65.08 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 111.791 -179.057 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -75.61 -13.29 60.33 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.015 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -126.79 13.69 7.43 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -175.238 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.598 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -109.45 140.8 42.74 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -174.015 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.2 pt -128.52 34.06 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 163.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 70.72 -51.03 0.67 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 113.698 -1.592 . . . . 0.0 110.222 -170.027 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 50.9 ttp -90.87 165.36 13.65 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 172.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 p -94.96 153.16 17.79 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -71.59 -8.35 53.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.294 -174.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.2 m . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.764 177.109 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.53 ' HA ' ' NE ' ' A' ' 5' ' ' ARG . 3.3 mmp_? . . . . . 0 N--CA 1.45 -0.474 0 CA-C-O 121.354 0.597 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.4 m -85.94 -24.45 26.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.177 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -106.6 146.14 31.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.956 -175.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.2 t -55.49 125.06 19.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.659 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.9 m -67.26 -23.31 65.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.362 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -86.11 -18.46 32.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.785 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.7 m -84.5 133.55 44.24 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.721 175.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.85 143.79 95.02 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.934 2.423 . . . . 0.0 111.391 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -65.19 -16.33 63.41 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -176.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -73.24 -15.66 61.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.184 0.516 . . . . 0.0 109.996 173.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.8 mt -117.78 88.04 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.371 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.18 75.8 0.97 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.19 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -99.86 127.74 46.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.33 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.57 140.32 57.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.761 -174.036 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -83.25 102.72 12.12 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.59 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -81.39 7.01 12.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.312 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.54 169.51 24.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.965 0.412 . . . . 0.0 110.745 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.481 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 45.5 t -143.52 129.3 19.36 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.883 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.63 ' HA ' ' O ' ' A' ' 37' ' ' ASP . 51.1 t -75.41 115.61 15.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.04 -178.422 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -67.59 -28.04 67.43 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -170.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -73.99 -36.29 64.5 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.846 -174.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.8 p -115.94 -7.58 11.97 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.527 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.1 mttt 65.82 24.99 11.33 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.689 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -96.15 131.84 42.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.002 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.481 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 35.6 m -77.31 144.52 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.307 -178.081 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.4 pt -144.02 161.84 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.045 -175.216 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.9 p -97.21 143.57 27.87 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 172.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.468 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 74.3 mtm180 -73.31 -7.17 50.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.855 0.359 . . . . 0.0 111.067 -174.238 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -84.65 -13.02 52.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.066 0.46 . . . . 0.0 110.148 172.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -98.47 -57.49 2.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.518 172.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.468 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 9.3 m120 -141.48 140.25 33.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.925 -178.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.6 mm -86.27 86.81 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.749 0.309 . . . . 0.0 110.786 -177.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.63 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 14.8 m-20 71.55 -34.42 0.3 Allowed 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.697 175.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.442 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 94.3 mmm -116.73 129.82 56.35 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.61 150.9 27.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.262 0.553 . . . . 0.0 110.486 -173.72 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -60.85 -26.43 67.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.364 -172.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 C--N 1.327 -0.384 0 CA-C-O 121.076 0.465 . . . . 0.0 110.721 179.322 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 121.041 0.448 . . . . 0.0 111.657 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 m -105.56 -17.23 14.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.011 0.91 . . . . 0.0 109.083 171.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -106.99 144.15 34.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.802 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.493 ' HB2' ' HB3' ' A' ' 31' ' ' CYS . 18.8 t -52.57 125.95 18.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.018 -176.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.0 m -68.09 -23.29 64.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.583 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.618 ' CE2' ' HB2' ' A' ' 39' ' ' CYS . 29.5 m-85 -97.04 4.47 51.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.977 0.418 . . . . 0.0 111.377 -178.118 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 m -111.25 132.29 21.82 Favored Pre-proline 0 C--N 1.315 -0.915 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.318 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.42 149.02 77.15 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 123.01 2.473 . . . . 0.0 112.306 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.0 m -68.01 -11.22 58.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.08 -176.287 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -86.78 -13.72 44.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.028 0.442 . . . . 0.0 110.85 173.408 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.1 mm -97.47 -47.83 12.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.01 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 53.19 77.11 0.18 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.589 176.068 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.0 mmm180 -97.57 120.67 38.36 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 173.26 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.06 128.72 38.23 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.455 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -76.63 107.24 8.79 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.902 0.382 . . . . 0.0 111.173 -176.812 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -90.86 -7.38 52.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.147 0.498 . . . . 0.0 110.341 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.61 169.05 18.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.737 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.9 p -147.16 149.03 32.18 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.119 0.485 . . . . 0.0 111.076 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.412 ' SG ' ' HA ' ' A' ' 38' ' ' MET . 44.0 t -86.35 95.59 9.7 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.14 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -61.17 -22.43 64.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.837 0.351 . . . . 0.0 111.074 -175.895 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -62.49 -38.58 90.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.749 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.3 p -128.18 -2.89 5.69 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.659 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 68.81 34.8 3.18 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.569 0.748 . . . . 0.0 112.187 178.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -104.71 133.92 48.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 172.832 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.455 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 26.7 m -86.8 148.42 4.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -173.067 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.7 pt -140.05 158.29 26.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 121.25 0.548 . . . . 0.0 111.272 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.494 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 24.3 p -90.37 173.92 7.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -175.728 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.585 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 27.5 mtm180 -69.78 -16.72 63.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.045 0.45 . . . . 0.0 110.941 178.408 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.494 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 14.0 mp0 -85.67 -10.61 55.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.888 176.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -134.16 28.15 3.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.547 -177.673 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.585 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -91.19 111.5 23.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 122.02 0.915 . . . . 0.0 112.869 -174.274 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.58 ' HB ' ' O ' ' A' ' 38' ' ' MET . 13.8 mt -113.3 3.54 8.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 168.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.47 22.33 7.91 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 122.559 1.171 . . . . 0.0 108.994 -164.317 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.58 ' O ' ' HB ' ' A' ' 36' ' ' ILE . 51.5 ttm -168.15 142.03 3.33 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 113.113 -1.858 . . . . 0.0 106.705 -177.552 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.618 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 7.5 p -87.87 157.31 19.02 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -175.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -66.81 -13.1 61.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.01 -173.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.7 m . . . . . 0 C--N 1.325 -0.473 0 CA-C-O 120.545 0.212 . . . . 0.0 110.866 176.462 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 121.434 0.635 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.6 m -116.42 -21.15 9.38 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.312 173.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -106.35 145.89 31.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.202 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.438 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 35.9 t -52.86 123.95 12.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 123.732 0.645 . . . . 0.0 111.818 -174.391 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.3 m -68.97 -31.57 70.53 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.766 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -72.23 -26.12 61.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.889 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.438 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 23.2 m -90.29 138.38 27.19 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.118 176.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -58.74 138.55 86.37 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.222 1.948 . . . . 0.0 110.29 172.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.9 m -61.47 -20.76 63.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.724 -174.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -72.49 -17.12 61.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.388 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.9 mm -80.66 -21.78 11.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.158 0.504 . . . . 0.0 110.931 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 62.51 33.5 15.96 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.211 176.644 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -85.16 116.35 23.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.242 -175.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.5 145.59 49.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.445 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -106.27 117.8 34.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.24 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -109.48 17.24 21.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.011 176.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.14 164.35 30.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.615 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 12.8 p -154.24 132.88 12.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.518 0.199 . . . . 0.0 111.304 -177.52 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.592 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 43.3 t -75.97 117.95 18.23 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 176.663 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -70.83 -19.02 62.7 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.951 0.405 . . . . 0.0 110.866 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -99.45 15.15 27.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.758 0.313 . . . . 0.0 111.515 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.6 m -142.81 -22.72 0.65 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.889 174.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 65.2 20.23 11.9 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 123.112 0.565 . . . . 0.0 110.152 -174.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -103.98 141.32 36.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.228 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.437 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 27.7 m -91.35 144.47 9.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.114 0.483 . . . . 0.0 111.242 -175.347 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.45 HD12 ' HB3' ' A' ' 35' ' ' ASN . 13.8 pt -136.05 156.23 36.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.299 -178.096 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.446 ' SG ' ' HB2' ' A' ' 34' ' ' HIS . 18.9 p -86.29 145.75 26.8 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.06 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.524 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 84.1 mtm180 -66.35 -15.52 63.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.827 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -77.61 -21.05 52.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.811 175.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.446 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -93.02 -45.1 8.08 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.698 176.211 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.524 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 15.5 t-20 -166.92 155.74 10.32 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 173.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.1 tp -78.55 -20.67 13.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.227 -172.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -168.57 -46.57 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -175.388 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 65.1 mtt -95.41 156.8 16.17 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.987 0.422 . . . . 0.0 111.618 -172.153 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.592 ' HB3' ' HB2' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -123.26 137.29 54.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.192 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -90.91 26.96 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.751 -173.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--N 1.321 -0.656 0 CA-C-O 120.922 0.392 . . . . 0.0 110.556 178.271 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.851 0.357 . . . . 0.0 111.448 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.1 m -95.36 -25.68 16.2 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.422 0.629 . . . . 0.0 110.457 175.607 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -109.56 143.42 39.25 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.847 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.8 t -56.17 128.66 36.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.554 -175.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.5 m -69.27 -26.0 64.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.346 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -88.7 -16.61 31.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.962 0.411 . . . . 0.0 111.242 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.463 ' SG ' ' HD3' ' A' ' 17' ' ' ARG . 12.9 m -84.77 126.5 68.24 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.433 ' HB2' HG12 ' A' ' 15' ' ' ILE . 51.6 Cg_exo -52.91 143.87 47.19 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.018 2.479 . . . . 0.0 112.029 -178.23 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.4 m -63.54 -20.62 65.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.213 -173.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -90.03 -0.09 57.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.932 0.396 . . . . 0.0 111.018 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.433 HG12 ' HB2' ' A' ' 12' ' ' PRO . 46.4 mm -97.35 -42.81 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.704 174.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 56.56 73.11 0.46 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.245 177.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.463 ' HD3' ' SG ' ' A' ' 11' ' ' CYS . 74.3 ttt180 -111.1 127.46 55.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.997 178.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -57.38 140.5 50.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.078 -178.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.36 141.07 28.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.508 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -116.13 -7.42 11.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.573 -175.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.71 179.74 8.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.796 -178.197 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 23.2 t -152.93 143.67 22.82 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.716 0.293 . . . . 0.0 110.263 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.444 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 49.9 t -76.9 111.16 12.14 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 173.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -66.26 -16.6 64.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.396 0.617 . . . . 0.0 110.616 -174.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -82.88 -37.88 23.69 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.48 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.9 m -121.9 1.73 9.9 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -169.188 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 68.99 1.44 3.17 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 175.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -76.12 128.22 34.54 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.442 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 28.1 m -89.34 142.59 12.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.082 0.468 . . . . 0.0 110.837 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 35' ' ' ASN . 1.8 pt -138.67 152.51 24.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.431 -171.85 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.7 p -88.0 166.68 14.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.94 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -66.19 -5.58 10.67 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -177.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -98.29 -22.88 15.89 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.911 0.386 . . . . 0.0 110.344 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -114.28 6.99 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.369 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.527 ' HA ' HD12 ' A' ' 30' ' ' ILE . 23.6 p-10 -99.83 134.3 42.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.708 0.765 . . . . 0.0 111.762 -175.871 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.7 pt -123.93 34.63 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 114.937 -1.028 . . . . 0.0 108.715 171.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 62.85 17.42 9.93 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.341 -1.3 . . . . 0.0 110.758 -173.048 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.7 ptp -173.63 177.58 2.48 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 177.131 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 23' ' ' CYS . 6.6 p -106.47 146.07 31.01 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.319 -177.095 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -67.5 -10.31 50.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.075 -173.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.326 -0.452 0 CA-C-O 121.051 0.453 . . . . 0.0 110.375 178.206 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 120.84 0.353 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 55.8 m -103.38 -16.12 15.72 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.551 0.691 . . . . 0.0 109.79 174.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -117.98 139.53 51.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.742 -175.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.419 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 12.5 t -54.95 120.62 7.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.723 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.1 m -60.11 -27.81 67.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.66 -177.674 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -87.44 -16.23 35.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.422 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.419 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 6.8 m -87.71 142.75 32.87 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.211 177.352 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -64.0 135.35 47.26 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.192 1.928 . . . . 0.0 110.917 174.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 m -61.73 -21.74 64.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.244 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -63.24 -28.74 70.24 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.082 0.468 . . . . 0.0 110.572 174.356 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.1 mm -78.96 -29.78 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.536 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 58.11 41.74 23.43 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.79 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -80.4 109.79 15.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.393 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -65.82 136.32 56.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.05 177.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.71 128.63 35.62 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.054 -177.25 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -103.55 0.55 31.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.247 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.67 165.07 25.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.204 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 33.5 p -147.41 135.42 21.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.763 0.316 . . . . 0.0 111.475 -177.046 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.4 t -84.59 99.33 10.7 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 175.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.5 tptt -55.85 -31.01 62.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.485 -169.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -62.78 -47.67 82.48 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -176.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.5 p -104.56 -8.11 19.24 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.351 -176.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm 70.09 14.99 7.72 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.044 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -87.21 135.79 33.17 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 177.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.434 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 31.0 m -88.24 148.11 4.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.992 -176.626 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 pt -145.63 162.25 11.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.668 -174.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.4 p -97.81 144.8 27.03 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -67.15 -14.21 62.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.028 0.442 . . . . 0.0 110.86 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -72.67 -20.41 61.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.663 174.482 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -105.28 -58.91 1.83 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.611 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.459 ' HB3' ' O ' ' A' ' 38' ' ' MET . 15.3 m120 -145.78 138.79 25.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.422 -175.272 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.3 tt -89.66 79.53 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.767 0.794 . . . . 0.0 111.029 -177.37 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 61.37 17.16 8.08 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.389 176.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.459 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 22.5 ptm -146.01 115.64 7.22 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -89.1 168.08 12.61 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -177.556 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -81.5 -1.39 45.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.998 -172.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.8 t . . . . . 0 C--N 1.323 -0.571 0 CA-C-O 121.013 0.435 . . . . 0.0 110.824 -179.361 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 121.42 0.629 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.2 m -103.24 -43.86 5.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.207 176.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -101.19 142.19 32.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.488 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.0 t -47.89 123.23 5.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.889 -178.622 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.2 m -70.16 -19.79 63.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.106 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -86.41 -25.49 25.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.214 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 7.4 m -79.02 140.83 57.91 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.539 178.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 38.6 Cg_exo -60.79 148.59 91.54 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.66 2.24 . . . . 0.0 111.118 174.389 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.5 m -62.87 -22.07 66.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 112.079 -174.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -77.07 -20.28 56.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.981 0.42 . . . . 0.0 110.605 175.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.5 mt -107.16 77.47 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.609 0.719 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -72.27 97.72 2.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.454 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -116.47 127.13 54.29 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.02 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -63.86 131.81 48.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.054 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.91 107.18 14.42 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.064 -178.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -95.55 24.64 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.119 0.485 . . . . 0.0 110.368 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.24 158.69 36.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.305 -0.861 . . . . 0.0 108.975 174.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.2 m -155.98 136.98 13.61 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -177.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 4.0 t -76.93 119.84 21.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 177.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -72.91 -28.36 62.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.296 -168.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -88.01 -36.43 17.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.657 0.265 . . . . 0.0 111.354 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.4 m -95.1 -15.48 23.35 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -175.189 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 65.65 23.89 11.63 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.842 0.457 . . . . 0.0 112.022 177.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -98.73 131.86 44.55 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.1 m -92.04 140.95 15.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.971 0.415 . . . . 0.0 110.579 -177.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 35' ' ' ASN . 4.6 pt -137.68 147.94 25.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.026 -173.624 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.549 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 21.2 p -81.89 163.56 22.18 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -57.22 -36.9 71.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.882 0.373 . . . . 0.0 110.661 -176.376 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -67.34 -25.08 65.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.268 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -112.67 20.63 16.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.821 0.343 . . . . 0.0 110.324 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.549 ' HB3' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -115.08 140.72 48.83 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -170.715 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.6 pt -131.39 28.96 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 164.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 t70 72.4 -42.04 0.52 Allowed 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 114.121 -1.4 . . . . 0.0 110.214 -168.043 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 62.5 mtm -95.09 170.33 9.49 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 172.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 23' ' ' CYS . 11.5 p -104.38 146.44 28.83 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.998 0.428 . . . . 0.0 109.892 178.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -62.64 -19.57 63.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.827 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -178.429 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 121.501 0.667 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.0 m -87.92 -16.73 33.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.3 -0.864 . . . . 0.0 108.788 171.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -117.62 147.32 42.97 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.38 -177.037 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.8 t -57.68 125.21 21.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.466 -178.136 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.2 m -66.24 -29.59 69.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.079 -178.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -79.97 -21.31 43.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.7 m -83.61 128.99 61.57 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.85 152.72 48.3 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.825 2.35 . . . . 0.0 112.498 -177.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.8 t -53.57 -44.68 69.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.463 0.171 . . . . 0.0 111.463 -175.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -67.37 -16.29 64.16 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.973 0.416 . . . . 0.0 111.138 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.6 mm -101.48 71.93 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 176.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.587 ' H ' ' HD2' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -61.93 92.49 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 122.01 0.909 . . . . 0.0 111.081 -178.212 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -119.85 116.64 26.27 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.189 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -62.03 140.51 58.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.804 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.14 125.95 33.22 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.024 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -111.43 11.78 21.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.121 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.23 167.44 28.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.692 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.421 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 47.1 p -157.16 131.38 8.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.984 0.421 . . . . 0.0 111.133 -177.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.9 t -84.1 96.92 9.07 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -36.9 61.11 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -170.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -63.33 -34.43 77.68 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -174.734 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.8 p -111.04 -5.92 14.72 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.954 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 67.21 17.77 10.32 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.043 178.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -89.66 125.37 35.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.05 0.453 . . . . 0.0 110.432 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.421 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 35.6 m -81.57 145.2 9.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.514 -179.137 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.3 pt -142.9 167.69 14.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.173 0.511 . . . . 0.0 110.913 -175.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.9 p -99.21 146.48 26.13 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.611 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 50.4 mtm180 -69.54 -4.88 20.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 -177.399 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -84.57 -25.84 28.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.796 174.468 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -89.39 -35.33 16.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.212 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.611 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 23.4 t-20 -171.52 159.76 5.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.562 172.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.7 tp -60.39 -52.4 61.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -177.138 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -172.28 32.85 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.633 0.73 . . . . 0.0 110.685 -178.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 54.9 mtt -143.43 147.29 34.37 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.1 p -97.26 173.45 7.21 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.202 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -91.58 -22.65 20.21 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.185 0.517 . . . . 0.0 109.853 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.458 -177.23 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 121.213 0.53 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.1 m -97.7 -23.13 16.08 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.611 0.72 . . . . 0.0 109.564 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -102.85 141.62 35.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.532 -176.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.2 t -55.72 124.24 16.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.772 -176.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.0 m -66.8 -30.44 70.64 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.291 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -81.01 -22.87 39.06 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.428 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.521 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 12.2 m -79.95 132.63 59.93 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 175.478 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.39 145.43 36.39 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.812 2.341 . . . . 0.0 111.55 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -65.62 -11.98 49.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.475 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -79.09 -18.29 53.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 175.774 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.0 mm -84.65 -50.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.82 -176.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 55.16 66.07 1.33 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.896 0.379 . . . . 0.0 111.903 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.521 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 7.5 ptp180 -119.51 142.61 48.15 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 174.09 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 4.0 mppt? -75.03 142.27 43.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.285 -171.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.18 134.47 33.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.058 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -112.92 24.67 12.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.879 0.847 . . . . 0.0 109.509 176.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.82 160.06 38.83 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.416 176.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.446 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 44.7 p -146.53 131.65 18.34 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.845 0.355 . . . . 0.0 110.553 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.7 t -80.59 91.22 5.78 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -55.99 -28.72 58.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.089 -177.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -54.11 -40.38 67.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.436 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 29.3 p -126.14 2.68 7.17 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.837 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm 65.01 36.32 7.52 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.03 0.532 . . . . 0.0 112.112 176.704 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -116.0 135.25 54.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.446 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 32.2 m -88.8 142.15 13.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.164 0.507 . . . . 0.0 111.574 -173.445 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 35' ' ' ASN . 9.4 pt -138.6 149.86 23.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.812 -175.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.8 p -80.84 162.3 24.06 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -58.67 -36.18 73.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 118.156 0.435 . . . . 0.0 111.307 -174.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -69.95 -22.48 63.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.082 0.468 . . . . 0.0 110.754 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -106.29 16.12 25.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.054 0.454 . . . . 0.0 109.904 177.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.481 ' HA ' HD12 ' A' ' 30' ' ' ILE . 8.9 t30 -114.94 119.82 37.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.489 -177.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.1 pt -111.55 37.4 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 169.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.466 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 23.6 m-20 59.77 33.24 21.72 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.757 -170.249 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 52.6 tpp 172.05 151.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.537 -1.21 . . . . 0.0 107.837 -172.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.15 152.9 21.66 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -62.51 -18.12 61.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.105 -171.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.326 -0.439 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 -178.92 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 . . . . . 0 CA--C 1.528 0.128 0 CA-C-O 121.413 0.625 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.6 m -119.89 -19.64 7.84 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.447 -0.797 . . . . 0.0 108.887 172.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -115.48 137.66 51.83 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.224 -177.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.5 t -52.1 119.8 4.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.755 -175.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.9 m -65.72 -27.21 68.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.936 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -78.72 -23.97 45.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.98 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.546 ' SG ' ' HD3' ' A' ' 17' ' ' ARG . 13.3 m -80.94 144.39 55.13 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 174.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.449 ' HB2' HG12 ' A' ' 15' ' ' ILE . 33.5 Cg_exo -58.1 134.13 59.99 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.268 1.979 . . . . 0.0 111.306 178.151 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.8 m -58.47 -27.06 64.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.61 -171.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -79.83 -13.13 59.63 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.298 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.449 HG12 ' HB2' ' A' ' 12' ' ' PRO . 44.2 mm -86.77 -39.87 13.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.398 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 53.1 75.51 0.24 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.336 178.084 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.546 ' HD3' ' SG ' ' A' ' 11' ' ' CYS . 66.5 mtp180 -100.17 132.27 45.64 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 172.55 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -64.15 127.96 33.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.988 0.423 . . . . 0.0 110.375 -176.728 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.77 116.5 28.95 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.924 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -103.9 26.09 9.1 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.48 0.657 . . . . 0.0 109.928 178.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.408 ' HB3' HG13 ' A' ' 30' ' ' ILE . . . -149.7 154.77 39.08 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.787 177.696 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 p -145.92 128.1 15.71 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.055 0.455 . . . . 0.0 110.688 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 52.2 t -74.85 113.44 12.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.737 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.45 -24.94 67.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.745 -169.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -77.82 -39.89 42.23 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.541 -175.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.7 p -112.29 -8.07 13.96 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.365 -0.534 . . . . 0.0 112.181 -173.88 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp 66.09 32.31 8.31 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.686 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -104.35 138.49 40.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 174.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.0 m -89.78 144.79 8.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.305 0.574 . . . . 0.0 111.549 -175.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.408 HG13 ' HB3' ' A' ' 21' ' ' ALA . 8.9 pt -139.6 154.29 24.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.861 -175.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' A' ' 34' ' ' HIS . 17.7 p -90.57 150.95 21.53 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.469 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -66.36 -21.32 66.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.48 -171.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -86.46 -7.82 58.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.37 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.576 ' C ' HD22 ' A' ' 35' ' ' ASN . 0.0 OUTLIER -99.21 -61.02 1.42 Allowed 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.805 178.194 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.576 HD22 ' C ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -132.25 152.52 51.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.658 -173.31 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.9 tp -94.6 79.56 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.514 0.673 . . . . 0.0 111.085 -177.717 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 71.28 -51.75 0.69 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.437 176.268 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.5 mmt -97.34 139.13 33.75 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.527 ' SG ' ' HB2' ' A' ' 41' ' ' SER . 0.5 OUTLIER -86.69 146.06 26.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.93 0.395 . . . . 0.0 110.22 -175.699 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -64.8 -18.74 65.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.125 -176.148 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.527 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 49.3 m . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 120.932 0.396 . . . . 0.0 110.118 174.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 . . . . . 0 C--O 1.227 -0.095 0 CA-C-O 121.444 0.64 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.4 m -104.03 -6.06 21.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.178 0.99 . . . . 0.0 108.99 173.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -113.91 138.34 50.45 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.026 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.43 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 17.9 t -54.53 121.34 8.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.454 -175.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.0 m -63.71 -27.48 69.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.271 -178.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 39' ' ' CYS . 13.1 m-85 -85.57 -13.95 47.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.511 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.43 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 9.5 m -93.39 138.7 22.93 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 174.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.469 ' HB2' HG12 ' A' ' 15' ' ' ILE . 24.2 Cg_exo -59.86 132.4 44.85 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.058 1.839 . . . . 0.0 110.54 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.4 m -60.1 -23.29 63.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.137 -174.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -71.2 -19.16 62.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.804 0.335 . . . . 0.0 111.125 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.469 HG12 ' HB2' ' A' ' 12' ' ' PRO . 48.3 mm -81.68 -20.49 10.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.386 0.613 . . . . 0.0 110.598 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 58.47 35.06 24.45 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.573 176.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -82.0 115.92 21.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.151 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -70.49 158.26 36.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.662 -177.556 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.55 113.91 17.4 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.061 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -102.06 5.62 40.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.143 0.497 . . . . 0.0 110.158 177.385 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.44 153.98 37.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.327 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 m -141.42 138.58 33.05 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.957 0.408 . . . . 0.0 110.951 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.2 t -79.08 119.23 21.91 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.488 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 12.7 mptt -73.82 -19.01 60.87 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -172.385 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -85.66 -4.36 59.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.1 p -149.96 -12.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.371 -0.532 . . . . 0.0 112.291 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm 69.3 22.03 6.79 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.45 0.7 . . . . 0.0 111.807 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -85.51 140.4 30.69 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 170.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.9 m -93.95 143.85 10.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.247 0.546 . . . . 0.0 111.568 -173.629 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.585 HD12 ' HA ' ' A' ' 35' ' ' ASN . 6.6 pt -137.12 150.57 26.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.74 -176.073 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 23.7 p -83.08 164.65 20.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.356 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -75.18 14.68 0.52 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.926 0.393 . . . . 0.0 111.262 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.403 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 41.3 mt-10 -111.68 -9.57 14.12 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 171.728 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -130.03 27.55 5.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.649 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.585 ' HA ' HD12 ' A' ' 30' ' ' ILE . 7.8 t30 -115.04 125.52 53.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.589 0.709 . . . . 0.0 112.781 -170.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.4 pt -124.95 32.45 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.743 167.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.8 t70 61.47 20.25 11.02 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 122.549 1.166 . . . . 0.0 109.773 -172.05 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 43.6 ttm -171.85 158.86 4.99 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.186 -1.37 . . . . 0.0 107.642 -175.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.546 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 1.8 p -100.35 153.23 19.49 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 175.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -59.45 -22.62 61.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.738 -176.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.3 m . . . . . 0 C--N 1.325 -0.467 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 178.957 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 121.11 0.481 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.2 m -95.98 -18.85 19.95 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.601 0.715 . . . . 0.0 109.817 175.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -105.03 139.15 40.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.645 -176.636 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.7 t -55.97 123.1 13.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.762 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.0 m -64.72 -27.59 69.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.396 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -76.62 -20.49 56.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.774 177.433 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 m -89.41 123.91 65.73 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.802 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -55.86 149.74 49.59 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.857 2.372 . . . . 0.0 111.754 176.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 49.2 m -63.69 -16.44 61.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.4 -174.482 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -83.25 -21.19 33.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.833 0.349 . . . . 0.0 110.835 175.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.9 mm -81.55 -40.55 18.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.302 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 13' ' ' SER . 8.7 mmm180 55.03 69.66 0.71 Allowed 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 173.55 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 66.5 mtm180 -119.41 127.76 53.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.929 0.395 . . . . 0.0 110.167 175.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.56 146.15 54.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.825 -177.241 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.466 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -94.82 124.4 38.84 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.291 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -96.55 -0.23 49.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.736 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.36 174.57 10.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.956 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.0 t -155.85 148.01 23.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.946 0.403 . . . . 0.0 110.261 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.2 t -83.15 111.43 18.91 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -62.8 -34.61 77.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.16 -175.699 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.67 -50.62 68.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.039 0.447 . . . . 0.0 111.088 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.8 m -95.82 -10.48 28.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.133 -170.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 60.22 24.24 13.61 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.344 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -100.18 133.81 44.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.651 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.466 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 14.7 m -85.22 145.68 7.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.265 0.555 . . . . 0.0 111.21 -177.328 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.431 HD12 ' HB3' ' A' ' 35' ' ' ASN . 7.2 pt -139.31 146.41 25.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.042 -173.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.2 p -86.73 144.76 26.94 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 175.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -71.69 -7.41 47.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -174.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -79.88 -22.95 42.24 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 172.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.55 ' C ' HD22 ' A' ' 35' ' ' ASN . 3.1 m170 -97.81 -64.76 1.01 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.947 176.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.569 ' OD1' ' HA ' ' A' ' 39' ' ' CYS . 0.9 OUTLIER -133.17 126.86 32.58 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -178.564 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.4 tp -71.43 -34.82 54.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.102 -176.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -178.03 137.8 0.19 Allowed 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.5 ttp 65.67 114.97 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.746 0.654 . . . . 0.0 110.5 -174.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.569 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 1.4 p -79.32 173.43 12.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.109 -174.475 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -103.52 8.2 37.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.279 0.562 . . . . 0.0 110.574 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.8 t . . . . . 0 C--N 1.322 -0.596 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 176.896 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.573 ' HB3' HG11 ' A' ' 29' ' ' VAL . 97.1 mtt180 . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 121.167 0.508 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.8 m -97.64 -37.97 9.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.817 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -106.57 147.74 29.09 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.164 -176.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HB2' ' HB3' ' A' ' 31' ' ' CYS . 15.0 t -61.21 128.93 38.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.151 -178.724 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.3 m -72.31 -25.09 61.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.489 -177.321 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -84.56 -16.46 42.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.065 0.46 . . . . 0.0 111.039 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.42 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 17.1 m -94.28 132.57 28.86 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.799 175.387 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.455 ' HB2' HG12 ' A' ' 15' ' ' ILE . 33.6 Cg_exo -55.59 140.63 83.81 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.578 2.185 . . . . 0.0 111.301 177.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.8 t -59.06 -27.87 65.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.066 -171.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 14' ' ' LYS . 74.6 mmtt -84.63 -0.51 53.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 111.757 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.455 HG12 ' HB2' ' A' ' 12' ' ' PRO . 51.6 mm -86.85 -26.41 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.425 0.631 . . . . 0.0 109.463 172.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 55.77 40.98 30.74 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.661 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -85.81 119.82 26.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.335 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -72.1 144.31 48.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.066 0.46 . . . . 0.0 111.038 -173.452 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.26 128.53 39.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.248 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -109.62 -15.61 14.13 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.855 0.36 . . . . 0.0 110.64 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.4 162.03 28.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.022 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 13.7 m -135.44 135.35 40.49 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.454 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.3 t -78.25 111.99 14.78 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 175.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 3.4 mptp? -67.65 -29.26 68.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.396 -169.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -68.37 -42.09 79.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.747 -175.106 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.5 -7.13 12.26 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.823 -174.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.0 mttp 71.66 17.49 5.52 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 177.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -89.06 136.41 33.03 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.573 HG11 ' HB3' ' A' ' 5' ' ' ARG . 18.4 m -92.35 147.64 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.069 0.462 . . . . 0.0 111.605 -176.863 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.5 pt -138.58 152.18 24.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.386 0.612 . . . . 0.0 111.515 -174.058 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 28.6 p -83.68 173.49 11.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.182 -178.363 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.722 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 48.6 mtp180 -72.38 -4.49 30.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.865 -175.329 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -103.75 -8.48 19.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.001 0.429 . . . . 0.0 110.264 174.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -122.52 7.63 9.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.039 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.722 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -96.31 124.86 40.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.788 0.804 . . . . 0.0 112.325 -177.903 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.5 mt -116.64 21.33 6.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 172.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 56.18 30.24 16.17 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 114.881 -1.054 . . . . 0.0 108.467 -163.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.1 tpt 177.92 139.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.592 -1.632 . . . . 0.0 106.592 -170.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.9 p -89.95 158.38 17.42 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.628 -0.829 . . . . 0.0 110.22 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -51.29 -43.29 61.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 123.424 0.453 . . . . 0.0 111.944 -176.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--N 1.329 -0.309 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -174.64 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 121.112 0.482 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.1 m -96.49 -24.18 16.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.82 0.819 . . . . 0.0 109.696 173.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -109.6 144.89 37.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.055 -178.081 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.7 t -52.21 126.45 18.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.756 -176.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.4 m -67.11 -33.33 75.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.15 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -69.07 -29.18 67.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.346 176.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.4 m -82.34 140.6 45.33 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.295 177.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -61.49 134.87 53.76 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.353 2.035 . . . . 0.0 110.847 174.302 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.7 m -59.6 -25.43 64.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.274 -173.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -75.29 -18.49 60.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.646 0.26 . . . . 0.0 111.486 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.9 mm -73.32 -38.06 52.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 83.9 mtm180 60.73 58.68 2.34 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.75 -178.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -104.23 122.76 46.04 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 11.2 mptt -68.96 145.54 53.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.461 -171.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.455 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -100.78 113.6 26.65 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -96.42 15.13 22.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.32 0.581 . . . . 0.0 110.169 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.65 157.35 43.39 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.55 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.487 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 15.1 m -142.57 132.32 24.06 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.767 0.318 . . . . 0.0 110.364 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.2 t -77.17 101.73 6.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -59.2 -27.08 65.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.863 -174.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -63.53 -51.65 64.54 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.9 p -110.86 -2.2 16.2 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.513 -0.475 . . . . 0.0 112.113 -173.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.13 34.34 13.72 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.283 0.563 . . . . 0.0 111.248 179.03 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -109.35 134.89 51.26 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.362 174.277 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.487 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 21.0 m -87.56 146.82 5.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.409 -172.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.451 HD12 ' HB2' ' A' ' 35' ' ' ASN . 11.2 pt -139.36 154.16 24.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.205 -174.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.6 p -94.18 148.66 21.97 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 176.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -65.14 -14.34 60.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.933 -173.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -85.34 -21.56 28.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.037 0.446 . . . . 0.0 110.297 177.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -92.27 -42.42 9.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.818 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.451 ' HB2' HD12 ' A' ' 30' ' ' ILE . 2.3 m120 -146.79 179.28 7.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.927 178.326 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.5 mt -90.96 -66.95 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.145 0.498 . . . . 0.0 110.337 177.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -142.33 -42.65 0.33 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.745 -177.221 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.6 mtm -101.03 133.6 45.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.101 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -86.74 150.56 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 177.403 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -105.85 26.01 10.17 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 120.918 0.39 . . . . 0.0 110.989 -172.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.9 m . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.959 -179.543 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 . . . . . 0 N--CA 1.462 0.154 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.2 m -88.81 -17.21 30.21 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.818 0.818 . . . . 0.0 109.225 172.734 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -112.55 147.21 37.09 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.342 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.0 t -60.3 123.67 17.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.705 -176.154 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.7 m -66.58 -29.56 69.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.233 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -80.74 -18.02 49.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.928 -178.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.647 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 11.5 m -88.49 133.93 35.34 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.663 174.518 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HB2' HG12 ' A' ' 15' ' ' ILE . 33.6 Cg_exo -57.98 141.96 96.41 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.471 2.114 . . . . 0.0 111.546 178.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.8 m -63.21 -21.48 66.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.8 -0.637 . . . . 0.0 112.147 -174.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -78.41 -18.17 55.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 176.226 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.41 HG12 ' HB2' ' A' ' 12' ' ' PRO . 46.8 mm -81.84 -36.32 14.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.152 178.646 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 54.95 67.05 1.08 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.942 0.401 . . . . 0.0 111.089 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.647 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 39.2 ttm180 -110.01 120.76 43.48 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.841 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -61.11 148.36 40.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.221 -176.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.06 111.89 23.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.814 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -87.45 -22.42 24.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.93 0.395 . . . . 0.0 110.79 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.07 162.41 17.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.164 0.507 . . . . 0.0 110.781 -177.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.6 m -142.27 148.44 38.08 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.536 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.0 t -93.1 117.92 30.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.088 0.47 . . . . 0.0 110.136 179.277 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -57.34 -41.0 79.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.021 -0.991 . . . . 0.0 113.179 -169.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -75.2 -56.36 4.8 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -174.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.5 p -86.91 -13.25 45.31 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.521 -174.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp 69.14 19.22 8.04 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 122.92 0.488 . . . . 0.0 111.81 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -86.51 138.83 31.42 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 174.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.9 m -92.93 141.76 14.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.113 0.482 . . . . 0.0 110.665 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.9 pt -139.33 146.81 25.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.396 0.617 . . . . 0.0 111.475 -172.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.9 p -81.69 163.2 22.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.11 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.509 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 95.0 mtt180 -67.16 -4.3 9.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.788 -179.145 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -102.57 -5.75 23.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.771 0.32 . . . . 0.0 111.054 176.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -124.07 -2.21 8.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.294 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.509 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 24.7 p-10 -104.63 146.66 28.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.663 0.744 . . . . 0.0 112.381 -170.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.401 HG13 ' HB3' ' A' ' 38' ' ' MET . 32.2 pt -113.91 36.04 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 163.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 58.21 32.52 22.13 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 114.315 -1.311 . . . . 0.0 109.451 -168.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.401 ' HB3' HG13 ' A' ' 36' ' ' ILE . 27.3 ttt 171.39 160.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 106.098 -1.815 . . . . 0.0 106.098 -172.133 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.509 ' SG ' ' HB3' ' A' ' 41' ' ' SER . 0.5 OUTLIER -101.68 142.33 33.2 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.136 175.579 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -72.99 -7.19 50.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.287 -175.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.509 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 28.1 t . . . . . 0 C--N 1.324 -0.502 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 175.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 121.537 0.684 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.4 m -109.11 -16.93 13.99 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.04 0.924 . . . . 0.0 108.8 172.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' TYR . . . . . 0.4 ' CE2' ' HD3' ' A' ' 18' ' ' LYS . 96.9 m-85 -119.24 142.8 47.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.882 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 18.0 t -52.31 121.15 6.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.112 -173.292 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.4 m -65.46 -24.02 67.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.102 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.551 ' OH ' ' HB2' ' A' ' 39' ' ' CYS . 6.7 m-85 -83.92 -19.48 34.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.887 178.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.726 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 5.6 m -89.82 156.78 46.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.48 178.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.446 ' HB2' HG12 ' A' ' 15' ' ' ILE . 5.2 Cg_exo -73.67 127.44 11.65 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.479 2.119 . . . . 0.0 110.468 173.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.2 m -57.29 -30.79 65.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.38 -171.197 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -73.03 -13.28 61.19 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.446 HG12 ' HB2' ' A' ' 12' ' ' PRO . 34.8 mm -85.79 -16.7 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.711 0.767 . . . . 0.0 110.105 178.612 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 57.39 41.62 26.06 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 114.539 -1.209 . . . . 0.0 112.536 172.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.726 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 84.5 mtt180 -83.24 120.99 26.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.946 0.403 . . . . 0.0 110.506 178.421 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.4 ' HD3' ' CE2' ' A' ' 7' ' ' TYR . 72.4 mmtt -63.81 140.72 58.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.571 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -97.09 98.92 10.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.22 176.342 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -84.94 1.23 48.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.973 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.54 162.42 34.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.357 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -147.36 134.17 20.1 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.5 t -68.74 119.26 12.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.463 -178.016 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -58.33 -35.25 71.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.678 -170.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -79.03 -51.6 9.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -173.711 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.9 p -98.02 -9.54 25.86 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -172.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt 67.87 18.72 9.62 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 122.963 0.505 . . . . 0.0 112.275 177.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -80.36 149.44 30.23 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 172.34 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.424 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 21.9 m -98.35 140.3 18.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.205 0.526 . . . . 0.0 111.222 -176.61 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 15.0 pt -138.18 153.8 27.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.835 -174.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 34' ' ' HIS . 18.5 p -91.52 147.81 22.75 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.843 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -68.47 -7.09 28.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.531 -176.806 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -89.3 -21.8 22.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.445 175.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . 0.543 ' C ' HD22 ' A' ' 35' ' ' ASN . 0.2 OUTLIER -91.57 -58.27 2.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.96 0.409 . . . . 0.0 110.565 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.543 HD22 ' C ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -129.67 -172.28 2.72 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.782 -176.82 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.668 HG23 ' H ' ' A' ' 37' ' ' ASP . 3.6 tp -91.81 -90.98 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.702 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.668 ' H ' HG23 ' A' ' 36' ' ' ILE . 8.3 p-10 -134.11 17.88 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.997 0.903 . . . . 0.0 109.094 172.006 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 55.8 ttp -150.78 135.84 17.58 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.205 -176.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.551 ' HB2' ' OH ' ' A' ' 10' ' ' TYR . 1.3 p -82.79 156.84 23.47 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -178.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -77.58 7.22 5.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.336 -0.393 . . . . 0.0 112.044 -173.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 C--N 1.325 -0.471 0 CA-C-O 120.942 0.401 . . . . 0.0 110.955 177.2 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 121.085 0.469 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.3 m -108.25 -27.99 9.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.445 0.641 . . . . 0.0 110.32 177.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -112.05 143.89 42.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.744 -176.13 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 t -54.77 120.26 6.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.763 -176.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.3 m -65.68 -26.78 67.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.144 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -81.02 -17.11 51.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.514 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 17' ' ' ARG . 4.9 m -88.69 140.93 29.75 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.19 177.394 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HB2' HG12 ' A' ' 15' ' ' ILE . 23.5 Cg_exo -61.56 138.68 77.12 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.206 1.937 . . . . 0.0 110.461 174.155 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.2 m -60.68 -23.19 64.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.323 -172.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -80.63 -12.45 59.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.653 0.263 . . . . 0.0 111.669 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.421 HG22 ' HG2' ' A' ' 17' ' ' ARG . 49.2 mm -87.46 -32.9 6.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 55.29 71.81 0.52 Allowed 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.094 0.474 . . . . 0.0 111.943 175.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.421 ' HG2' HG22 ' A' ' 15' ' ' ILE . 15.5 mmm180 -107.52 114.65 28.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.25 175.719 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 133.03 52.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.124 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.44 111.62 21.32 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.037 -177.169 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -94.3 1.89 55.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.162 0.506 . . . . 0.0 110.437 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.55 163.69 28.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.723 177.018 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.6 m -144.91 157.02 44.29 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.912 0.387 . . . . 0.0 110.555 -178.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.1 t -105.2 98.96 8.59 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -66.58 -11.65 54.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.864 0.364 . . . . 0.0 111.502 -174.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -74.99 -25.65 58.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.576 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 29.4 p -138.67 -5.51 1.54 Allowed 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt 71.34 22.38 4.31 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.18 0.592 . . . . 0.0 112.468 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -89.48 139.68 30.28 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 171.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.5 m -99.4 144.6 11.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.752 0.311 . . . . 0.0 110.965 -176.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 35' ' ' ASN . 5.0 pt -138.93 149.16 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.122 0.487 . . . . 0.0 111.442 -173.346 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 19.8 p -84.26 168.45 15.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.858 -178.646 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.503 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 41.0 mmt180 -72.75 -1.33 16.07 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -177.327 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -99.76 -10.72 21.53 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 172.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -128.95 22.24 5.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.214 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.592 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.9 OUTLIER -106.72 125.84 51.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.815 0.817 . . . . 0.0 111.881 -173.668 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.47 ' HB ' ' O ' ' A' ' 38' ' ' MET . 16.1 mt -108.53 10.24 9.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 164.404 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 61.86 21.13 12.03 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 114.431 -1.258 . . . . 0.0 109.077 -166.049 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.47 ' O ' ' HB ' ' A' ' 36' ' ' ILE . 57.3 ttp -172.65 131.92 0.56 Allowed 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 113.001 -1.909 . . . . 0.0 106.603 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.614 ' SG ' ' HB3' ' A' ' 41' ' ' SER . 1.9 p -76.17 156.08 33.99 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -174.559 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -67.06 -15.74 63.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.804 -176.215 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.614 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 47.6 t . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.619 177.851 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 . . . . . 0 CA--C 1.53 0.201 0 CA-C-O 121.136 0.493 . . . . 0.0 111.396 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.9 m -85.92 -20.05 29.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.955 0.883 . . . . 0.0 109.122 171.138 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -124.16 151.8 43.59 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.349 -178.234 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.2 t -52.67 122.85 9.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.159 -0.928 . . . . 0.0 112.018 -175.353 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.5 m -64.29 -27.69 69.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.19 -0.913 . . . . 0.0 111.229 -179.564 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -80.86 -25.36 37.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.162 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 m -83.0 135.56 44.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.477 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.24 143.36 97.19 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.389 2.059 . . . . 0.0 111.669 178.68 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.1 m -64.19 -15.4 59.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.723 -177.388 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -77.94 -18.7 55.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.962 0.41 . . . . 0.0 110.5 175.635 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.6 mm -89.68 -47.83 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.127 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 59.77 70.97 0.6 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.974 0.416 . . . . 0.0 110.55 -177.41 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -98.77 126.88 44.53 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.654 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -56.57 120.68 8.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.063 -177.356 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.61 96.66 9.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.966 177.14 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -78.45 -12.86 60.03 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.025 0.44 . . . . 0.0 110.523 -179.103 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.96 168.18 16.37 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.1 -177.667 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.5 p -144.44 142.4 30.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.698 177.695 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.1 t -79.24 109.05 13.22 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.624 -178.013 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -76.33 69.47 2.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.84 -175.593 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -172.47 -46.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.347 174.98 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.1 p -106.19 -13.83 15.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.358 177.668 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm 69.34 18.86 7.89 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.274 -0.875 . . . . 0.0 112.067 176.649 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -76.51 133.12 39.85 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 171.446 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.7 m -84.97 138.37 19.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.011 0.434 . . . . 0.0 109.978 -178.887 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.5 pt -139.77 153.49 23.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.322 0.582 . . . . 0.0 111.516 -172.229 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.5 p -89.18 140.59 29.31 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 170.597 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.543 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 19.9 mtm180 -77.25 4.53 10.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.183 0.516 . . . . 0.0 111.123 -177.806 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -84.86 -16.27 41.82 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 168.938 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -100.55 -56.86 2.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.216 174.681 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.543 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 2.7 m120 -144.67 144.03 31.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.595 -178.909 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.8 mm -87.58 84.01 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.425 -174.888 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.496 ' OD1' ' HD3' ' A' ' 32' ' ' ARG . 8.2 m-20 60.47 11.4 2.96 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.809 174.672 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 43.6 tpp -154.4 120.47 5.3 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.732 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.495 ' SG ' ' HB3' ' A' ' 41' ' ' SER . 0.8 OUTLIER -78.68 148.58 33.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.102 0.477 . . . . 0.0 109.923 -174.424 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -68.37 -6.77 26.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.066 -176.792 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.495 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 43.4 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 110.294 176.411 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 121.594 0.711 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.8 m -112.75 -33.54 6.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.563 172.863 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -103.74 144.97 30.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.627 177.715 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.6 t -51.77 120.73 5.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.361 -176.047 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.0 m -66.99 -30.41 70.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.384 -176.226 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.445 ' CE1' ' HB2' ' A' ' 39' ' ' CYS . 34.0 m-85 -82.93 -11.6 58.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.969 0.414 . . . . 0.0 111.161 -179.784 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 m -85.81 144.56 39.7 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 171.52 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.44 ' HB2' HG12 ' A' ' 15' ' ' ILE . 23.5 Cg_exo -62.86 136.18 55.92 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.389 2.06 . . . . 0.0 110.897 176.546 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.8 m -56.99 -27.09 61.23 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -172.064 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -76.39 -23.59 54.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.751 0.31 . . . . 0.0 111.341 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.44 HG12 ' HB2' ' A' ' 12' ' ' PRO . 46.9 mm -72.96 -35.37 48.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.398 -178.808 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 54.6 66.14 1.31 Allowed 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.419 0.628 . . . . 0.0 111.098 179.077 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -102.4 119.6 39.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.387 178.112 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -62.04 136.22 57.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.785 0.326 . . . . 0.0 110.416 -179.331 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.24 147.64 34.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.456 178.87 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -108.75 -24.01 11.5 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.111 0.481 . . . . 0.0 110.14 -178.507 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.2 168.31 21.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.145 -178.391 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 15.1 m -126.3 133.39 51.41 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.132 179.172 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.6 t -70.76 109.64 5.09 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.556 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -63.88 -20.94 66.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.597 -171.385 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' HG2' ' SD ' ' A' ' 38' ' ' MET . 14.6 mmmm -80.86 -18.1 48.49 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -174.623 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.3 p -140.96 -2.96 1.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.113 -0.635 . . . . 0.0 112.676 -178.334 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt 66.51 20.39 10.86 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 122.565 0.346 . . . . 0.0 111.817 178.64 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -93.56 136.68 33.6 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 175.181 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 34.4 m -93.49 145.0 8.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.304 -171.971 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 35' ' ' ASN . 6.1 pt -137.78 153.51 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.396 0.617 . . . . 0.0 111.884 -172.864 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.9 p -91.23 163.73 14.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.289 177.069 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.47 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 14.6 mmm180 -54.95 -40.32 69.82 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 118.089 0.404 . . . . 0.0 111.433 -177.892 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.42 -22.35 66.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.022 -178.96 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -115.7 15.4 16.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.54 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.55 ' HA ' HD12 ' A' ' 30' ' ' ILE . 6.6 t30 -107.76 124.34 49.9 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -171.004 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.466 ' C ' ' H ' ' A' ' 38' ' ' MET . 34.9 pt -121.83 37.87 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 166.432 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 p30 54.79 8.1 0.2 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.444 1.498 . . . . 0.0 111.543 -167.695 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 38' ' ' MET . . . . . 0.472 ' SD ' ' HG2' ' A' ' 25' ' ' LYS . 22.0 mmt -154.02 173.27 16.23 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 177.442 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.445 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -107.38 148.0 29.64 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.145 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -61.3 -16.3 44.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.814 -172.287 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.892 0.377 . . . . 0.0 110.541 178.14 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 121.215 0.531 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.5 m -88.68 -34.38 17.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.402 0.62 . . . . 0.0 110.688 178.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -113.52 152.92 29.56 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.736 -175.294 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 8.6 t -55.05 125.66 21.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.457 -178.477 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.9 m -63.13 -27.78 69.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.818 -176.896 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.492 ' CE2' ' HB2' ' A' ' 39' ' ' CYS . 11.3 m-85 -85.44 -20.43 29.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.217 0.532 . . . . 0.0 110.989 -179.899 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.454 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 20.0 m -92.96 147.89 34.76 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.948 177.513 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.506 ' HB2' HG12 ' A' ' 15' ' ' ILE . 15.4 Cg_exo -67.34 126.69 15.35 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.892 1.728 . . . . 0.0 110.67 175.79 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.9 m -61.15 -21.94 64.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.068 -175.164 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -82.08 -7.14 59.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 111.343 178.245 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.506 HG12 ' HB2' ' A' ' 12' ' ' PRO . 48.2 mm -92.88 -11.87 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.921 0.867 . . . . 0.0 109.593 175.11 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 61.16 44.19 10.29 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.354 -1.294 . . . . 0.0 112.437 172.944 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -84.78 107.13 16.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.005 0.431 . . . . 0.0 110.08 176.806 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.18 134.28 53.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.597 -177.026 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.447 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -81.84 99.19 8.88 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.764 179.443 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -84.37 6.01 24.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.555 178.971 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.89 171.09 18.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.006 0.432 . . . . 0.0 110.803 -178.209 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.1 p -146.37 136.55 23.66 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.953 178.014 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 37' ' ' ASP . 41.4 t -74.57 109.84 8.37 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 176.474 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -67.74 -15.39 63.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.543 -172.897 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -78.25 -30.19 48.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.605 -177.913 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.1 p -131.18 -5.21 3.86 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -177.517 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt 63.56 31.74 14.53 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 122.877 0.471 . . . . 0.0 111.716 -177.987 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -93.71 127.92 39.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 170.053 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.447 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 29.9 m -76.72 140.87 16.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 120.976 0.417 . . . . 0.0 110.836 -177.233 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.0 pt -140.61 164.42 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.499 -176.723 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.2 p -95.6 148.87 22.07 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.563 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 79.0 mtm180 -69.99 -5.38 25.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.269 0.557 . . . . 0.0 110.36 179.254 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -86.02 -12.7 49.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.525 175.187 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -107.12 -42.44 4.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.943 175.665 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.478 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 14.3 t-20 -172.83 166.42 5.25 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 174.744 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.426 HG23 ' OD1' ' A' ' 37' ' ' ASP . 8.4 tp -88.05 -32.5 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.186 -175.072 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.503 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 6.1 p-10 -166.9 10.73 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 178.834 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 85.6 mtp -131.96 125.39 31.47 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.883 -0.51 . . . . 0.0 111.07 -176.759 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.492 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -97.02 154.37 17.35 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 176.175 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -75.4 -8.62 57.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.88 -173.998 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 121.073 0.464 . . . . 0.0 110.149 177.6 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.768 0.318 . . . . 0.0 111.765 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.0 m -76.54 -27.57 55.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.218 0.532 . . . . 0.0 110.261 176.728 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -113.08 137.46 51.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.012 -176.169 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.2 t -58.25 127.25 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.639 -177.596 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.4 m -67.62 -30.49 70.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.209 -178.762 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.551 ' CE1' ' HB2' ' A' ' 39' ' ' CYS . 7.4 m-85 -84.13 -7.12 59.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.192 0.52 . . . . 0.0 111.23 -179.068 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.0 m -99.95 133.34 21.7 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.028 175.09 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' PRO . . . . . 0.425 ' HB2' HG12 ' A' ' 15' ' ' ILE . 36.3 Cg_exo -55.16 141.62 79.69 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.488 2.125 . . . . 0.0 110.92 175.134 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.8 t -60.28 -23.73 64.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.124 -171.04 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -82.42 -9.42 59.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.744 0.307 . . . . 0.0 111.574 -179.424 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.425 HG12 ' HB2' ' A' ' 12' ' ' PRO . 50.3 mm -81.01 -27.77 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.367 0.603 . . . . 0.0 110.174 178.317 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 55.67 31.92 18.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.617 178.624 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -78.84 118.6 21.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.652 179.423 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 12.1 mptt -72.82 149.48 43.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.218 -176.787 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.463 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -90.13 139.46 30.61 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.311 -178.122 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -102.78 -25.31 13.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.092 0.472 . . . . 0.0 110.454 -178.689 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.76 162.93 31.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.719 -176.533 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.3 m -127.27 133.27 50.19 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.304 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.4 t -71.6 109.4 5.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.93 178.8 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -58.42 -25.89 62.66 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 122.831 0.452 . . . . 0.0 111.82 -175.916 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -75.93 -36.29 59.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -175.249 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 32.0 p -127.14 -3.26 6.34 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.134 -0.627 . . . . 0.0 112.288 -174.852 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt 67.75 13.79 9.31 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.091 0.557 . . . . 0.0 112.421 179.649 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -85.63 142.75 28.86 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.383 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.463 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 22.2 m -98.08 149.2 5.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.25 0.548 . . . . 0.0 112.076 -171.746 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.1 pt -139.87 147.63 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.991 -176.042 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.7 p -83.97 174.11 10.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.761 -176.612 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 32' ' ' ARG . . . . . 0.489 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 55.0 ttp180 -56.73 -44.01 81.2 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.364 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -83.77 8.21 15.37 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.583 -179.344 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -130.91 7.85 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.396 176.093 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 35' ' ' ASN . . . . . 0.616 ' HA ' HD12 ' A' ' 30' ' ' ILE . 1.1 p-10 -104.01 126.8 51.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.853 0.835 . . . . 0.0 112.342 -173.537 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 8.8 mt -110.42 13.64 8.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 114.336 -1.302 . . . . 0.0 107.691 168.037 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 60.62 21.38 11.25 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.613 -1.176 . . . . 0.0 108.754 -164.911 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 52.2 ttm -170.48 135.56 1.22 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 113.324 -1.762 . . . . 0.0 106.95 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.551 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 1.5 p -83.75 152.67 24.55 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -177.323 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -58.38 -21.46 50.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.388 -171.851 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 120.69 0.281 . . . . 0.0 111.067 -179.479 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.853 0.358 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 23.0 mmt -93.88 81.28 4.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.291 0.567 . . . . 0.0 109.937 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.584 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -105.65 177.54 4.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.147 -178.808 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.6 pttm 43.6 34.42 0.81 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.959 0.904 . . . . 0.0 111.916 -177.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -91.08 23.23 3.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.452 0.644 . . . . 0.0 110.576 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 m -97.36 -13.24 21.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.019 0.914 . . . . 0.0 108.935 172.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -117.67 141.71 48.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.49 -176.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.0 t -51.76 122.07 7.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.786 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 m -61.6 -25.09 67.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.407 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -83.49 -21.46 32.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.803 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 13.3 m -89.98 129.36 46.42 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.165 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.18 143.93 96.15 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 122.56 2.174 . . . . 0.0 111.615 177.023 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.5 m -64.16 -17.33 63.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.154 -175.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -79.87 -20.31 46.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.929 0.395 . . . . 0.0 110.734 175.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.4 mm -84.55 -35.74 10.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.753 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 51.7 67.35 0.97 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.028 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 17' ' ' ARG . 5.7 tpp180 -98.86 119.1 37.05 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 174.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -59.37 134.86 57.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.867 0.365 . . . . 0.0 110.179 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.12 104.21 16.81 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.722 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -83.22 -16.87 44.79 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.632 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.28 165.78 16.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.353 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 24.2 m -147.65 131.88 17.43 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.853 0.359 . . . . 0.0 110.593 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 37' ' ' ASP . 43.6 t -77.72 121.06 23.51 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.477 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -70.67 -37.2 73.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.195 -168.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -68.31 -35.77 78.3 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.106 0.409 . . . . 0.0 112.106 -174.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.535 ' SG ' ' HB2' ' A' ' 28' ' ' LYS . 30.3 p -112.43 -12.77 13.47 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.566 -177.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 69.08 18.61 8.27 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.281 0.632 . . . . 0.0 111.635 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.535 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 14.2 mptt -83.15 130.52 35.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.96 0.409 . . . . 0.0 109.913 174.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.415 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 27.8 m -82.69 138.97 18.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.361 -178.006 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.7 pt -138.62 158.14 30.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.362 0.601 . . . . 0.0 111.338 -173.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.507 ' SG ' ' HB3' ' A' ' 33' ' ' GLU . 14.4 p -94.19 142.96 26.81 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 173.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -69.38 -10.98 60.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.404 0.621 . . . . 0.0 110.256 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.507 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 42.8 tt0 -73.62 -19.41 60.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.634 173.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -104.71 -56.66 2.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.608 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 38' ' ' MET . 1.8 m120 -143.97 140.74 29.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.618 -176.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.0 mm -87.02 92.3 3.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.69 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.434 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 15.3 t70 74.1 -43.88 0.55 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.608 174.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.406 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 51.2 ttp -106.75 131.42 53.9 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.289 -0.257 . . . . 0.0 110.324 -178.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -81.81 152.9 26.71 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.8 tt0 -65.84 -16.35 63.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.692 -174.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.4 m -87.51 4.62 42.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -177.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.0 m -123.03 150.41 43.1 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.859 176.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.849 179.481 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.006 0.431 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 95.4 mmm -102.04 65.11 0.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.096 0.475 . . . . 0.0 109.983 176.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -76.88 101.92 6.13 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -68.22 -36.45 79.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.948 -174.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.8 mtm-85 -86.84 27.45 1.0 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -176.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.5 m -108.56 -29.45 8.75 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.582 0.706 . . . . 0.0 109.598 171.103 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -105.12 143.05 33.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.933 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.4 t -54.5 123.9 14.5 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.784 -177.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.6 m -65.49 -29.45 70.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.234 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -80.99 -20.21 42.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.951 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.1 m -83.92 128.67 62.07 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -51.63 153.5 10.81 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.986 2.457 . . . . 0.0 111.52 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.0 m -64.3 -23.46 67.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.217 -171.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -84.1 -12.01 55.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.119 0.485 . . . . 0.0 110.564 175.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.2 mm -101.95 78.43 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.6 mtm180 -75.97 85.05 2.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.685 -174.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -115.15 126.25 54.39 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.456 173.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -68.02 133.48 49.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.439 -176.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.82 145.05 50.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.195 -177.548 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -103.0 -37.45 7.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.483 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.9 166.02 19.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.333 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 m -129.91 142.31 50.67 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.316 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.2 t -89.81 107.17 18.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.406 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 24' ' ' LYS . 13.4 mptt -64.14 -26.37 68.5 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.855 -170.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -64.34 -40.39 95.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.622 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.422 ' SG ' ' HG2' ' A' ' 28' ' ' LYS . 28.5 p -120.26 -8.19 9.7 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -173.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.2 mttt 66.08 31.58 8.82 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.134 0.574 . . . . 0.0 111.6 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HG2' ' SG ' ' A' ' 26' ' ' CYS . 34.6 mmtp -99.15 148.46 24.06 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.4 m -105.07 146.98 11.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 120.938 0.399 . . . . 0.0 110.97 -175.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.9 pt -138.18 150.25 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.12 0.486 . . . . 0.0 111.755 -172.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.6 p -89.6 170.71 10.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.406 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.586 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 26.3 mmm180 -59.06 -26.55 64.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.943 0.401 . . . . 0.0 111.594 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -83.39 -11.32 57.72 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.92 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -131.71 22.85 4.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.558 -176.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.586 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -116.99 140.06 49.92 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -178.166 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.3 pt -127.59 34.83 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 114.72 -1.127 . . . . 0.0 108.209 167.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 59.39 26.41 15.3 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.264 -169.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 48.4 ttm -179.58 157.96 0.79 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 -176.308 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.94 148.03 23.88 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.594 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.2 tp60 -58.79 -26.15 63.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.385 -172.384 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.4 t -70.68 -25.02 62.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.267 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 68.9 m -101.61 8.81 41.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.381 . . . . 0.0 110.188 178.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 72.0 t80 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.45 -0.786 . . . . 0.0 110.257 -178.695 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 26.2 t . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 121.075 0.464 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 38.6 tpp -167.03 149.19 6.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.031 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -91.22 86.24 6.11 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.576 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -109.64 2.21 20.09 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.63 -175.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -72.62 -13.69 61.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.12 0.486 . . . . 0.0 110.783 177.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.44 HG22 ' HG3' ' A' ' 18' ' ' LYS . 32.8 m -66.28 -27.73 68.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.597 174.172 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -108.65 142.14 39.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.994 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.412 ' HA ' ' HB2' ' A' ' 19' ' ' ALA . 4.1 t -57.32 127.57 32.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.198 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.0 m -64.38 -28.2 69.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.324 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -80.42 -18.71 48.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.047 0.451 . . . . 0.0 110.528 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.1 m -94.81 142.95 25.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.477 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -67.23 135.12 35.93 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.116 1.877 . . . . 0.0 110.48 171.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.0 m -58.56 -26.97 64.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.717 -176.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -72.78 -14.32 61.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 111.098 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.1 mm -82.85 -21.38 9.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.541 0.686 . . . . 0.0 109.959 176.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 59.52 34.26 22.43 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.459 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.436 ' NE ' ' HA ' ' A' ' 17' ' ' ARG . 4.7 tpm_? -85.37 103.41 14.25 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HG3' HG22 ' A' ' 6' ' ' THR . 0.0 OUTLIER -63.56 144.23 57.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.536 -177.203 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.412 ' HB2' ' HA ' ' A' ' 8' ' ' CYS . . . -94.56 100.16 12.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.164 -178.407 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -84.21 0.52 48.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.924 0.392 . . . . 0.0 110.741 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.62 163.85 28.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.909 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 15.9 p -147.94 125.52 11.75 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.847 0.355 . . . . 0.0 110.919 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -74.03 100.01 3.47 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.636 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -69.15 -13.69 62.56 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.652 -174.449 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -73.15 -34.24 65.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.067 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 29.6 p -126.98 -3.42 6.43 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.953 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 67.98 36.64 3.29 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.152 0.581 . . . . 0.0 111.66 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.9 mttp -111.58 134.65 53.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.554 174.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.414 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 21.5 m -84.36 144.69 9.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.068 -174.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.48 HD12 ' HB2' ' A' ' 35' ' ' ASN . 9.7 pt -141.67 155.21 20.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.258 0.551 . . . . 0.0 111.42 -174.376 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.4 p -93.44 144.96 24.86 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 174.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -71.32 -2.6 16.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.937 0.399 . . . . 0.0 111.153 -176.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -83.13 -25.79 31.58 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 172.624 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -95.22 -61.73 1.43 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.013 177.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.48 ' HB2' HD12 ' A' ' 30' ' ' ILE . 11.3 m120 -134.94 136.1 42.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.562 -177.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.1 tp -69.39 -30.34 45.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.784 -171.43 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.444 ' O ' HD11 ' A' ' 30' ' ' ILE . 31.4 t70 -164.96 -52.03 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 111.273 -177.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.8 mmt -101.9 143.01 32.32 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 174.205 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.411 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 1.9 p -76.83 155.69 32.8 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -176.475 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.44 -20.56 66.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.682 -175.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.8 t -75.94 -14.92 60.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.658 0.266 . . . . 0.0 110.727 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 90.0 m -104.88 -165.38 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.3 p90 . . . . . 0 C--O 1.252 1.212 0 CA-C-O 118.349 -0.834 . . . . 0.0 111.195 -178.202 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 26.4 m . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.579 0.228 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 2' ' ' MET . 23.9 ptt? -78.52 110.17 13.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.272 0.558 . . . . 0.0 110.192 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -87.29 76.84 9.08 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.122 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -67.84 -22.84 65.12 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.674 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -84.38 48.75 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.631 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.8 m -106.1 -16.48 14.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.097 0.951 . . . . 0.0 109.006 173.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -107.24 141.82 37.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.041 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.9 t -53.26 124.77 15.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.788 -175.437 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.0 m -70.68 -27.43 64.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.61 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -77.77 -19.88 54.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.144 0.497 . . . . 0.0 110.526 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.3 m -88.6 139.48 29.71 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.115 175.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -62.66 141.21 84.81 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.502 2.135 . . . . 0.0 111.282 175.053 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 m -60.55 -23.74 64.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.013 -175.835 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -75.2 -18.48 60.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.804 0.335 . . . . 0.0 111.246 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.3 mm -81.45 -32.3 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 54.26 52.97 11.64 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.483 0.658 . . . . 0.0 111.025 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.4 tpt85 -92.26 116.41 28.94 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.669 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -59.51 142.08 53.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.444 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.31 140.24 29.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.366 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -112.28 -12.48 13.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.322 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.22 170.27 16.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.841 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.418 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 14.1 m -144.04 131.26 20.73 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.777 0.323 . . . . 0.0 110.639 -178.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.9 t -79.75 100.92 8.16 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 176.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -56.66 -30.74 63.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.965 -174.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -69.04 -31.36 70.08 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -174.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.1 p -125.92 -3.84 7.02 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.712 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.425 ' HB3' ' NZ ' ' A' ' 27' ' ' LYS . 3.9 mmmp? 66.65 28.59 9.12 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.108 0.563 . . . . 0.0 111.852 178.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -97.72 136.4 38.12 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 173.562 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 23.6 m -96.7 147.14 6.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.954 0.407 . . . . 0.0 111.234 -175.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.5 pt -138.7 151.79 24.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.759 -172.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.1 p -91.86 168.54 11.36 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.481 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.598 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 29.4 mmm180 -54.86 -36.43 65.08 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 111.791 -179.057 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -75.61 -13.29 60.33 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.015 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -126.79 13.69 7.43 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -175.238 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.598 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -109.45 140.8 42.74 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -174.015 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.2 pt -128.52 34.06 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 163.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 70.72 -51.03 0.67 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 113.698 -1.592 . . . . 0.0 110.222 -170.027 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 50.9 ttp -90.87 165.36 13.65 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 172.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 p -94.96 153.16 17.79 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -71.59 -8.35 53.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.294 -174.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.2 m -84.69 -15.16 46.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.764 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.1 m -105.46 2.24 28.4 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.067 0.461 . . . . 0.0 109.803 172.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.7 t80 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.16 -177.979 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.0 p . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 121.086 0.47 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 22.0 ptp -98.61 -11.38 22.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.534 -177.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.85 155.7 18.02 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.182 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt 55.63 50.99 13.3 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.65 0.738 . . . . 0.0 110.414 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.53 ' HA ' ' NE ' ' A' ' 5' ' ' ARG . 3.3 mmp_? -121.17 64.91 0.87 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.827 -178.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.4 m -85.94 -24.45 26.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.177 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -106.6 146.14 31.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.956 -175.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.2 t -55.49 125.06 19.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.659 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.9 m -67.26 -23.31 65.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.362 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -86.11 -18.46 32.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.785 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.7 m -84.5 133.55 44.24 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.721 175.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.85 143.79 95.02 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.934 2.423 . . . . 0.0 111.391 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -65.19 -16.33 63.41 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -176.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -73.24 -15.66 61.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.184 0.516 . . . . 0.0 109.996 173.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.8 mt -117.78 88.04 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.371 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.18 75.8 0.97 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.19 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -99.86 127.74 46.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.33 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.57 140.32 57.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.761 -174.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -83.25 102.72 12.12 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.59 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -81.39 7.01 12.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.312 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.54 169.51 24.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.965 0.412 . . . . 0.0 110.745 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.481 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 45.5 t -143.52 129.3 19.36 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.883 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.63 ' HA ' ' O ' ' A' ' 37' ' ' ASP . 51.1 t -75.41 115.61 15.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.04 -178.422 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -67.59 -28.04 67.43 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -170.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.477 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 57.6 tttm -73.99 -36.29 64.5 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.846 -174.605 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.8 p -115.94 -7.58 11.97 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.527 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.1 mttt 65.82 24.99 11.33 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.689 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -96.15 131.84 42.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.002 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.481 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 35.6 m -77.31 144.52 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.307 -178.081 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.4 pt -144.02 161.84 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.045 -175.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.9 p -97.21 143.57 27.87 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 172.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.468 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 74.3 mtm180 -73.31 -7.17 50.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.855 0.359 . . . . 0.0 111.067 -174.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -84.65 -13.02 52.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.066 0.46 . . . . 0.0 110.148 172.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -98.47 -57.49 2.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.518 172.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.468 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 9.3 m120 -141.48 140.25 33.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.925 -178.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.6 mm -86.27 86.81 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.749 0.309 . . . . 0.0 110.786 -177.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.63 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 14.8 m-20 71.55 -34.42 0.3 Allowed 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.697 175.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.442 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 94.3 mmm -116.73 129.82 56.35 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.61 150.9 27.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.262 0.553 . . . . 0.0 110.486 -173.72 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -60.85 -26.43 67.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.364 -172.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.2 t -69.58 -23.12 63.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.076 0.465 . . . . 0.0 110.721 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.424 ' SG ' ' HD3' ' A' ' 25' ' ' LYS . 94.3 m -98.34 -60.03 1.63 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.946 0.403 . . . . 0.0 110.606 178.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.477 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 97.8 m-85 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.547 -0.74 . . . . 0.0 110.448 -176.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.402 HG22 ' HG2' ' A' ' 2' ' ' MET . 12.5 p . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.402 ' HG2' HG22 ' A' ' 1' ' ' VAL . 94.4 mmm 57.06 40.98 28.12 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.997 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 60.48 87.21 0.09 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.129 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -58.34 -30.06 66.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.096 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -78.3 21.38 0.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.041 0.448 . . . . 0.0 111.657 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 m -105.56 -17.23 14.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.011 0.91 . . . . 0.0 109.083 171.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -106.99 144.15 34.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.802 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.493 ' HB2' ' HB3' ' A' ' 31' ' ' CYS . 18.8 t -52.57 125.95 18.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.018 -176.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.0 m -68.09 -23.29 64.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.583 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.618 ' CE2' ' HB2' ' A' ' 39' ' ' CYS . 29.5 m-85 -97.04 4.47 51.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.977 0.418 . . . . 0.0 111.377 -178.118 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 m -111.25 132.29 21.82 Favored Pre-proline 0 C--N 1.315 -0.915 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.318 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.42 149.02 77.15 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 123.01 2.473 . . . . 0.0 112.306 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.0 m -68.01 -11.22 58.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.08 -176.287 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -86.78 -13.72 44.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.028 0.442 . . . . 0.0 110.85 173.408 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.1 mm -97.47 -47.83 12.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.01 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 53.19 77.11 0.18 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.589 176.068 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.0 mmm180 -97.57 120.67 38.36 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 173.26 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.06 128.72 38.23 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.455 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -76.63 107.24 8.79 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.902 0.382 . . . . 0.0 111.173 -176.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -90.86 -7.38 52.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.147 0.498 . . . . 0.0 110.341 179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.61 169.05 18.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.737 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.9 p -147.16 149.03 32.18 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.119 0.485 . . . . 0.0 111.076 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.412 ' SG ' ' HA ' ' A' ' 38' ' ' MET . 44.0 t -86.35 95.59 9.7 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.14 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -61.17 -22.43 64.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.837 0.351 . . . . 0.0 111.074 -175.895 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -62.49 -38.58 90.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.749 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.3 p -128.18 -2.89 5.69 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.659 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 68.81 34.8 3.18 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.569 0.748 . . . . 0.0 112.187 178.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -104.71 133.92 48.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 172.832 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.455 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 26.7 m -86.8 148.42 4.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -173.067 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.7 pt -140.05 158.29 26.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 121.25 0.548 . . . . 0.0 111.272 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.494 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 24.3 p -90.37 173.92 7.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -175.728 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.585 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 27.5 mtm180 -69.78 -16.72 63.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.045 0.45 . . . . 0.0 110.941 178.408 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.494 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 14.0 mp0 -85.67 -10.61 55.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.888 176.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -134.16 28.15 3.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.547 -177.673 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.585 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -91.19 111.5 23.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 122.02 0.915 . . . . 0.0 112.869 -174.274 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.58 ' HB ' ' O ' ' A' ' 38' ' ' MET . 13.8 mt -113.3 3.54 8.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 168.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.47 22.33 7.91 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 122.559 1.171 . . . . 0.0 108.994 -164.317 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.58 ' O ' ' HB ' ' A' ' 36' ' ' ILE . 51.5 ttm -168.15 142.03 3.33 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 113.113 -1.858 . . . . 0.0 106.705 -177.552 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.618 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 7.5 p -87.87 157.31 19.02 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -175.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -66.81 -13.1 61.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.01 -173.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.7 m -80.27 -29.88 38.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.545 0.212 . . . . 0.0 110.866 176.462 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.5 m -91.43 -19.93 22.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.016 0.436 . . . . 0.0 110.078 176.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 60.2 t80 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.8 -0.619 . . . . 0.0 110.435 -178.225 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 120.936 0.398 . . . . 0.0 111.366 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 27.7 ttt -137.05 81.85 1.9 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.413 ' HB3' ' OG1' ' A' ' 6' ' ' THR . 60.3 mttp -83.21 67.63 9.28 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.559 -174.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -79.6 -38.73 33.29 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.796 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -93.53 41.78 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.368 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.413 ' OG1' ' HB3' ' A' ' 3' ' ' LYS . 51.6 m -116.42 -21.15 9.38 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.312 173.197 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -106.35 145.89 31.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.202 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.438 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 35.9 t -52.86 123.95 12.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 123.732 0.645 . . . . 0.0 111.818 -174.391 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.3 m -68.97 -31.57 70.53 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.766 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -72.23 -26.12 61.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.889 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.438 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 23.2 m -90.29 138.38 27.19 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.118 176.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -58.74 138.55 86.37 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.222 1.948 . . . . 0.0 110.29 172.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.9 m -61.47 -20.76 63.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.724 -174.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -72.49 -17.12 61.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.388 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.9 mm -80.66 -21.78 11.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.158 0.504 . . . . 0.0 110.931 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 62.51 33.5 15.96 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.211 176.644 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -85.16 116.35 23.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.242 -175.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.5 145.59 49.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.445 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -106.27 117.8 34.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.24 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -109.48 17.24 21.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.011 176.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.14 164.35 30.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.615 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 12.8 p -154.24 132.88 12.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.518 0.199 . . . . 0.0 111.304 -177.52 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.592 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 43.3 t -75.97 117.95 18.23 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 176.663 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -70.83 -19.02 62.7 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.951 0.405 . . . . 0.0 110.866 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -99.45 15.15 27.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.758 0.313 . . . . 0.0 111.515 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.6 m -142.81 -22.72 0.65 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.889 174.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 65.2 20.23 11.9 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 123.112 0.565 . . . . 0.0 110.152 -174.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -103.98 141.32 36.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.228 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.437 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 27.7 m -91.35 144.47 9.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.114 0.483 . . . . 0.0 111.242 -175.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.45 HD12 ' HB3' ' A' ' 35' ' ' ASN . 13.8 pt -136.05 156.23 36.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.299 -178.096 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.446 ' SG ' ' HB2' ' A' ' 34' ' ' HIS . 18.9 p -86.29 145.75 26.8 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.06 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.524 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 84.1 mtm180 -66.35 -15.52 63.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.827 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -77.61 -21.05 52.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.811 175.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.446 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -93.02 -45.1 8.08 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.698 176.211 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.524 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 15.5 t-20 -166.92 155.74 10.32 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 173.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.1 tp -78.55 -20.67 13.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.227 -172.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -168.57 -46.57 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -175.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 65.1 mtt -95.41 156.8 16.17 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.987 0.422 . . . . 0.0 111.618 -172.153 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.592 ' HB3' ' HB2' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -123.26 137.29 54.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.192 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -90.91 26.96 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.751 -173.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.6 m -119.37 43.26 2.65 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.922 0.392 . . . . 0.0 110.556 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.8 p -157.82 -88.66 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.367 177.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.545 -0.741 . . . . 0.0 109.322 -179.43 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 121.062 0.458 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 61.3 mtt -123.77 87.34 2.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.353 -177.373 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -123.95 119.87 30.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.742 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -108.23 -7.41 15.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.291 176.526 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 -116.41 45.33 1.81 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.448 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.1 m -95.36 -25.68 16.2 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.422 0.629 . . . . 0.0 110.457 175.607 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -109.56 143.42 39.25 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.847 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.8 t -56.17 128.66 36.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.554 -175.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.5 m -69.27 -26.0 64.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.346 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -88.7 -16.61 31.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.962 0.411 . . . . 0.0 111.242 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.463 ' SG ' ' HD3' ' A' ' 17' ' ' ARG . 12.9 m -84.77 126.5 68.24 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.433 ' HB2' HG12 ' A' ' 15' ' ' ILE . 51.6 Cg_exo -52.91 143.87 47.19 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.018 2.479 . . . . 0.0 112.029 -178.23 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.4 m -63.54 -20.62 65.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.213 -173.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -90.03 -0.09 57.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.932 0.396 . . . . 0.0 111.018 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.433 HG12 ' HB2' ' A' ' 12' ' ' PRO . 46.4 mm -97.35 -42.81 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.704 174.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 56.56 73.11 0.46 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.245 177.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.463 ' HD3' ' SG ' ' A' ' 11' ' ' CYS . 74.3 ttt180 -111.1 127.46 55.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.997 178.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -57.38 140.5 50.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.078 -178.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.36 141.07 28.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.508 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -116.13 -7.42 11.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.573 -175.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.71 179.74 8.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.796 -178.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 23.2 t -152.93 143.67 22.82 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.716 0.293 . . . . 0.0 110.263 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.444 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 49.9 t -76.9 111.16 12.14 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 173.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -66.26 -16.6 64.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.396 0.617 . . . . 0.0 110.616 -174.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -82.88 -37.88 23.69 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.48 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.9 m -121.9 1.73 9.9 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -169.188 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 68.99 1.44 3.17 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 175.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -76.12 128.22 34.54 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.442 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 28.1 m -89.34 142.59 12.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.082 0.468 . . . . 0.0 110.837 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 35' ' ' ASN . 1.8 pt -138.67 152.51 24.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.431 -171.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.7 p -88.0 166.68 14.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.94 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -66.19 -5.58 10.67 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -177.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -98.29 -22.88 15.89 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.911 0.386 . . . . 0.0 110.344 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -114.28 6.99 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.369 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.527 ' HA ' HD12 ' A' ' 30' ' ' ILE . 23.6 p-10 -99.83 134.3 42.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.708 0.765 . . . . 0.0 111.762 -175.871 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.7 pt -123.93 34.63 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 114.937 -1.028 . . . . 0.0 108.715 171.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 62.85 17.42 9.93 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.341 -1.3 . . . . 0.0 110.758 -173.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.7 ptp -173.63 177.58 2.48 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 177.131 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 23' ' ' CYS . 6.6 p -106.47 146.07 31.01 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.319 -177.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -67.5 -10.31 50.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.075 -173.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 t -70.99 -19.73 62.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.051 0.453 . . . . 0.0 110.375 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.5 p -119.68 8.35 11.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.654 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.6 t80 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.457 -0.782 . . . . 0.0 109.896 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 120.844 0.354 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 86.3 mtp -94.65 151.58 19.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.231 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm 62.66 78.61 0.29 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.446 0.641 . . . . 0.0 111.679 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.421 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 3.9 mppt? -75.59 -21.77 57.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.502 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -77.04 11.66 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.538 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 55.8 m -103.38 -16.12 15.72 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.551 0.691 . . . . 0.0 109.79 174.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -117.98 139.53 51.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.742 -175.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.419 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 12.5 t -54.95 120.62 7.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.723 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.1 m -60.11 -27.81 67.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.66 -177.674 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -87.44 -16.23 35.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.422 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.419 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 6.8 m -87.71 142.75 32.87 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.211 177.352 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -64.0 135.35 47.26 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.192 1.928 . . . . 0.0 110.917 174.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 m -61.73 -21.74 64.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.244 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -63.24 -28.74 70.24 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.082 0.468 . . . . 0.0 110.572 174.356 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.1 mm -78.96 -29.78 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.536 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 58.11 41.74 23.43 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.79 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -80.4 109.79 15.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.393 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -65.82 136.32 56.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.05 177.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.71 128.63 35.62 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.054 -177.25 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -103.55 0.55 31.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.247 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.67 165.07 25.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.204 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 33.5 p -147.41 135.42 21.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.763 0.316 . . . . 0.0 111.475 -177.046 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.4 t -84.59 99.33 10.7 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 175.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.5 tptt -55.85 -31.01 62.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.485 -169.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -62.78 -47.67 82.48 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -176.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.5 p -104.56 -8.11 19.24 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.351 -176.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm 70.09 14.99 7.72 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.044 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -87.21 135.79 33.17 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 177.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.434 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 31.0 m -88.24 148.11 4.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.992 -176.626 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 pt -145.63 162.25 11.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.668 -174.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.4 p -97.81 144.8 27.03 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -67.15 -14.21 62.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.028 0.442 . . . . 0.0 110.86 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -72.67 -20.41 61.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.663 174.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -105.28 -58.91 1.83 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.611 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.459 ' HB3' ' O ' ' A' ' 38' ' ' MET . 15.3 m120 -145.78 138.79 25.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.422 -175.272 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.3 tt -89.66 79.53 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.767 0.794 . . . . 0.0 111.029 -177.37 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 61.37 17.16 8.08 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.389 176.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.459 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 22.5 ptm -146.01 115.64 7.22 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -89.1 168.08 12.61 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -177.556 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 54.3 mt-30 -81.5 -1.39 45.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.998 -172.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.8 t -103.65 10.71 36.73 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.013 0.435 . . . . 0.0 110.824 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 74.4 m -134.92 172.67 12.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.435 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 . . . . . 0 C--O 1.249 1.069 0 O-C-N 124.293 0.996 . . . . 0.0 111.362 174.069 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.11 85.82 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.313 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -111.58 18.94 18.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.193 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -69.2 -31.15 69.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.044 -175.013 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 -104.08 17.49 24.0 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.42 0.629 . . . . 0.0 110.196 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.2 m -103.24 -43.86 5.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.207 176.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -101.19 142.19 32.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.488 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.0 t -47.89 123.23 5.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.889 -178.622 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.2 m -70.16 -19.79 63.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.106 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -86.41 -25.49 25.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.214 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 7.4 m -79.02 140.83 57.91 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.539 178.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 38.6 Cg_exo -60.79 148.59 91.54 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.66 2.24 . . . . 0.0 111.118 174.389 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.5 m -62.87 -22.07 66.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 112.079 -174.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -77.07 -20.28 56.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.981 0.42 . . . . 0.0 110.605 175.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.5 mt -107.16 77.47 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.609 0.719 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -72.27 97.72 2.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.454 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -116.47 127.13 54.29 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.02 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -63.86 131.81 48.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.054 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.91 107.18 14.42 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.064 -178.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -95.55 24.64 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.119 0.485 . . . . 0.0 110.368 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.24 158.69 36.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.305 -0.861 . . . . 0.0 108.975 174.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.2 m -155.98 136.98 13.61 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -177.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 4.0 t -76.93 119.84 21.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 177.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -72.91 -28.36 62.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.296 -168.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -88.01 -36.43 17.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.657 0.265 . . . . 0.0 111.354 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.4 m -95.1 -15.48 23.35 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -175.189 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 65.65 23.89 11.63 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.842 0.457 . . . . 0.0 112.022 177.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -98.73 131.86 44.55 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.1 m -92.04 140.95 15.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.971 0.415 . . . . 0.0 110.579 -177.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 35' ' ' ASN . 4.6 pt -137.68 147.94 25.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.026 -173.624 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.549 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 21.2 p -81.89 163.56 22.18 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -57.22 -36.9 71.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.882 0.373 . . . . 0.0 110.661 -176.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -67.34 -25.08 65.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.268 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -112.67 20.63 16.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.821 0.343 . . . . 0.0 110.324 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.549 ' HB3' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -115.08 140.72 48.83 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -170.715 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.6 pt -131.39 28.96 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 164.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 t70 72.4 -42.04 0.52 Allowed 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 114.121 -1.4 . . . . 0.0 110.214 -168.043 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 62.5 mtm -95.09 170.33 9.49 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 172.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 23' ' ' CYS . 11.5 p -104.38 146.44 28.83 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.998 0.428 . . . . 0.0 109.892 178.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -62.64 -19.57 63.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.827 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 t -66.15 -19.39 65.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.1 p -118.76 15.8 13.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.827 0.346 . . . . 0.0 111.037 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 72.6 t80 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.74 -0.647 . . . . 0.0 110.352 -179.709 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.677 0.275 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 22.1 ptm -133.66 120.53 20.77 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.854 0.359 . . . . 0.0 111.563 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 59.74 28.57 18.05 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.493 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -101.65 -22.53 14.43 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.276 0.56 . . . . 0.0 109.95 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -101.16 18.93 18.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.365 178.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.0 m -87.92 -16.73 33.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.3 -0.864 . . . . 0.0 108.788 171.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -117.62 147.32 42.97 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.38 -177.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.8 t -57.68 125.21 21.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.466 -178.136 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.2 m -66.24 -29.59 69.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.079 -178.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -79.97 -21.31 43.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.7 m -83.61 128.99 61.57 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.85 152.72 48.3 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.825 2.35 . . . . 0.0 112.498 -177.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.8 t -53.57 -44.68 69.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.463 0.171 . . . . 0.0 111.463 -175.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -67.37 -16.29 64.16 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.973 0.416 . . . . 0.0 111.138 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.6 mm -101.48 71.93 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 176.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.587 ' H ' ' HD2' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -61.93 92.49 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 122.01 0.909 . . . . 0.0 111.081 -178.212 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -119.85 116.64 26.27 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.189 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -62.03 140.51 58.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.804 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.14 125.95 33.22 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.024 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -111.43 11.78 21.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.121 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.23 167.44 28.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.692 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.421 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 47.1 p -157.16 131.38 8.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.984 0.421 . . . . 0.0 111.133 -177.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.9 t -84.1 96.92 9.07 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -36.9 61.11 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -170.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' HD2' ' HA ' ' A' ' 43' ' ' PHE . 67.4 mttm -63.33 -34.43 77.68 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -174.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.8 p -111.04 -5.92 14.72 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.954 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 67.21 17.77 10.32 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.043 178.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -89.66 125.37 35.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.05 0.453 . . . . 0.0 110.432 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.421 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 35.6 m -81.57 145.2 9.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.514 -179.137 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.3 pt -142.9 167.69 14.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.173 0.511 . . . . 0.0 110.913 -175.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.9 p -99.21 146.48 26.13 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.611 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 50.4 mtm180 -69.54 -4.88 20.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 -177.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -84.57 -25.84 28.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.796 174.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -89.39 -35.33 16.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.212 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.611 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 23.4 t-20 -171.52 159.76 5.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.562 172.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.7 tp -60.39 -52.4 61.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -177.138 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -172.28 32.85 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.633 0.73 . . . . 0.0 110.685 -178.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 54.9 mtt -143.43 147.29 34.37 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 42' ' ' CYS . 6.1 p -97.26 173.45 7.21 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.202 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -91.58 -22.65 20.21 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.185 0.517 . . . . 0.0 109.853 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.9 m -76.23 -24.21 54.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.458 -177.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.444 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -159.23 174.79 14.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.393 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.439 ' HA ' ' HD2' ' A' ' 25' ' ' LYS . 1.2 t80 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.161 -0.924 . . . . 0.0 109.921 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 39.9 t . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 120.868 0.366 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 34.3 tpp -78.78 127.87 32.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.77 0.319 . . . . 0.0 110.497 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -96.9 69.65 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.303 0.573 . . . . 0.0 110.283 177.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -130.37 29.49 4.85 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.9 0.857 . . . . 0.0 109.342 177.302 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -80.36 54.24 1.97 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.91 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.1 m -97.7 -23.13 16.08 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.611 0.72 . . . . 0.0 109.564 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -102.85 141.62 35.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.532 -176.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.2 t -55.72 124.24 16.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.772 -176.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.0 m -66.8 -30.44 70.64 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.291 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -81.01 -22.87 39.06 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.428 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.521 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 12.2 m -79.95 132.63 59.93 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 175.478 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.39 145.43 36.39 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.812 2.341 . . . . 0.0 111.55 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -65.62 -11.98 49.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.475 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -79.09 -18.29 53.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 175.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.0 mm -84.65 -50.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.82 -176.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 55.16 66.07 1.33 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.896 0.379 . . . . 0.0 111.903 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.521 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 7.5 ptp180 -119.51 142.61 48.15 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 174.09 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 4.0 mppt? -75.03 142.27 43.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.285 -171.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.18 134.47 33.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.058 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -112.92 24.67 12.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.879 0.847 . . . . 0.0 109.509 176.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.82 160.06 38.83 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.416 176.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.446 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 44.7 p -146.53 131.65 18.34 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.845 0.355 . . . . 0.0 110.553 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.7 t -80.59 91.22 5.78 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -55.99 -28.72 58.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.089 -177.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -54.11 -40.38 67.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.436 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 29.3 p -126.14 2.68 7.17 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.837 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm 65.01 36.32 7.52 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.03 0.532 . . . . 0.0 112.112 176.704 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -116.0 135.25 54.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.446 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 32.2 m -88.8 142.15 13.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.164 0.507 . . . . 0.0 111.574 -173.445 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 35' ' ' ASN . 9.4 pt -138.6 149.86 23.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.812 -175.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.8 p -80.84 162.3 24.06 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -58.67 -36.18 73.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 118.156 0.435 . . . . 0.0 111.307 -174.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -69.95 -22.48 63.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.082 0.468 . . . . 0.0 110.754 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -106.29 16.12 25.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.054 0.454 . . . . 0.0 109.904 177.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.481 ' HA ' HD12 ' A' ' 30' ' ' ILE . 8.9 t30 -114.94 119.82 37.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.489 -177.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.1 pt -111.55 37.4 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 169.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.466 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 23.6 m-20 59.77 33.24 21.72 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.757 -170.249 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.494 ' SD ' ' HB2' ' A' ' 42' ' ' CYS . 52.6 tpp 172.05 151.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.537 -1.21 . . . . 0.0 107.837 -172.278 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.15 152.9 21.66 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -62.51 -18.12 61.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.105 -171.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.8 t -85.46 -18.78 32.57 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.494 ' HB2' ' SD ' ' A' ' 38' ' ' MET . 94.7 m -101.89 -18.89 15.51 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.225 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 48.4 t80 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.297 -178.223 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.816 0.341 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.88 137.66 38.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.149 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -158.5 129.89 6.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.177 0.513 . . . . 0.0 110.896 -178.753 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -87.45 -11.39 49.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.561 175.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -78.83 37.09 0.29 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.427 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.6 m -119.89 -19.64 7.84 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.447 -0.797 . . . . 0.0 108.887 172.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -115.48 137.66 51.83 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.224 -177.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.5 t -52.1 119.8 4.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.755 -175.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.9 m -65.72 -27.21 68.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.936 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -78.72 -23.97 45.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.98 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.546 ' SG ' ' HD3' ' A' ' 17' ' ' ARG . 13.3 m -80.94 144.39 55.13 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 174.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.449 ' HB2' HG12 ' A' ' 15' ' ' ILE . 33.5 Cg_exo -58.1 134.13 59.99 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.268 1.979 . . . . 0.0 111.306 178.151 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.8 m -58.47 -27.06 64.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.61 -171.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -79.83 -13.13 59.63 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.298 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.449 HG12 ' HB2' ' A' ' 12' ' ' PRO . 44.2 mm -86.77 -39.87 13.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.398 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 53.1 75.51 0.24 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.336 178.084 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.546 ' HD3' ' SG ' ' A' ' 11' ' ' CYS . 66.5 mtp180 -100.17 132.27 45.64 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 172.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -64.15 127.96 33.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.988 0.423 . . . . 0.0 110.375 -176.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.77 116.5 28.95 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.924 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -103.9 26.09 9.1 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.48 0.657 . . . . 0.0 109.928 178.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.408 ' HB3' HG13 ' A' ' 30' ' ' ILE . . . -149.7 154.77 39.08 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.787 177.696 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 p -145.92 128.1 15.71 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.055 0.455 . . . . 0.0 110.688 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 52.2 t -74.85 113.44 12.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.737 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.45 -24.94 67.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.745 -169.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.62 ' HE2' ' SG ' ' A' ' 42' ' ' CYS . 19.2 ttpt -77.82 -39.89 42.23 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.541 -175.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.7 p -112.29 -8.07 13.96 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.365 -0.534 . . . . 0.0 112.181 -173.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp 66.09 32.31 8.31 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.686 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -104.35 138.49 40.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 174.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.0 m -89.78 144.79 8.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.305 0.574 . . . . 0.0 111.549 -175.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.408 HG13 ' HB3' ' A' ' 21' ' ' ALA . 8.9 pt -139.6 154.29 24.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.861 -175.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' A' ' 34' ' ' HIS . 17.7 p -90.57 150.95 21.53 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -66.36 -21.32 66.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.48 -171.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -86.46 -7.82 58.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.37 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.576 ' C ' HD22 ' A' ' 35' ' ' ASN . 0.0 OUTLIER -99.21 -61.02 1.42 Allowed 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.805 178.194 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.576 HD22 ' C ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -132.25 152.52 51.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.658 -173.31 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.9 tp -94.6 79.56 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.514 0.673 . . . . 0.0 111.085 -177.717 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 71.28 -51.75 0.69 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.437 176.268 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.5 mmt -97.34 139.13 33.75 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.527 ' SG ' ' HB2' ' A' ' 41' ' ' SER . 0.5 OUTLIER -86.69 146.06 26.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.93 0.395 . . . . 0.0 110.22 -175.699 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -64.8 -18.74 65.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.125 -176.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.527 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 49.3 m -66.74 -24.22 66.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.932 0.396 . . . . 0.0 110.118 174.669 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.62 ' SG ' ' HE2' ' A' ' 25' ' ' LYS . 71.7 m -103.51 -68.35 0.84 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.833 177.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.9 m-85 . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.632 -0.699 . . . . 0.0 110.784 -173.904 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 122.132 0.968 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' MET . . . . . 0.472 ' O ' ' HB2' ' A' ' 3' ' ' LYS . 25.5 ptt? -156.47 29.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.564 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 2' ' ' MET . 14.3 mptt 69.39 122.13 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.147 -171.682 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.442 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -76.15 -15.77 60.0 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.079 -179.324 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -83.65 39.18 0.66 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.52 177.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.4 m -104.03 -6.06 21.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.178 0.99 . . . . 0.0 108.99 173.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -113.91 138.34 50.45 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.026 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.43 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 17.9 t -54.53 121.34 8.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.454 -175.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.0 m -63.71 -27.48 69.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.271 -178.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 39' ' ' CYS . 13.1 m-85 -85.57 -13.95 47.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.511 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.43 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 9.5 m -93.39 138.7 22.93 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 174.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.469 ' HB2' HG12 ' A' ' 15' ' ' ILE . 24.2 Cg_exo -59.86 132.4 44.85 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.058 1.839 . . . . 0.0 110.54 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.4 m -60.1 -23.29 63.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.137 -174.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -71.2 -19.16 62.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.804 0.335 . . . . 0.0 111.125 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.469 HG12 ' HB2' ' A' ' 12' ' ' PRO . 48.3 mm -81.68 -20.49 10.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.386 0.613 . . . . 0.0 110.598 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 58.47 35.06 24.45 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.573 176.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -82.0 115.92 21.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.151 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -70.49 158.26 36.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.662 -177.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.55 113.91 17.4 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.061 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -102.06 5.62 40.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.143 0.497 . . . . 0.0 110.158 177.385 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.44 153.98 37.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.327 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 m -141.42 138.58 33.05 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.957 0.408 . . . . 0.0 110.951 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.2 t -79.08 119.23 21.91 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.488 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 12.7 mptt -73.82 -19.01 60.87 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -172.385 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -85.66 -4.36 59.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.1 p -149.96 -12.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.371 -0.532 . . . . 0.0 112.291 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm 69.3 22.03 6.79 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.45 0.7 . . . . 0.0 111.807 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -85.51 140.4 30.69 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 170.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.9 m -93.95 143.85 10.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.247 0.546 . . . . 0.0 111.568 -173.629 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.585 HD12 ' HA ' ' A' ' 35' ' ' ASN . 6.6 pt -137.12 150.57 26.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.74 -176.073 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 23.7 p -83.08 164.65 20.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.356 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -75.18 14.68 0.52 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.926 0.393 . . . . 0.0 111.262 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.403 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 41.3 mt-10 -111.68 -9.57 14.12 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 171.728 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -130.03 27.55 5.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.649 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.585 ' HA ' HD12 ' A' ' 30' ' ' ILE . 7.8 t30 -115.04 125.52 53.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.589 0.709 . . . . 0.0 112.781 -170.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.4 pt -124.95 32.45 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.743 167.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.8 t70 61.47 20.25 11.02 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 122.549 1.166 . . . . 0.0 109.773 -172.05 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 43.6 ttm -171.85 158.86 4.99 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.186 -1.37 . . . . 0.0 107.642 -175.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.546 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 1.8 p -100.35 153.23 19.49 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 175.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.5 tt0 -59.45 -22.62 61.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.738 -176.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.3 m -77.37 -4.72 46.62 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.1 m -122.08 -16.92 7.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.561 0.219 . . . . 0.0 111.282 175.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.6 t80 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.696 -175.536 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.851 0.358 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.9 mtt -83.19 132.55 35.06 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 176.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm 63.29 88.32 0.1 Allowed 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.743 0.652 . . . . 0.0 110.896 -176.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -61.97 -24.46 67.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.818 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -81.46 26.56 0.46 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.034 -176.5 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.2 m -95.98 -18.85 19.95 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.601 0.715 . . . . 0.0 109.817 175.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -105.03 139.15 40.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.645 -176.636 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.7 t -55.97 123.1 13.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.762 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.0 m -64.72 -27.59 69.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.396 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -76.62 -20.49 56.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.774 177.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 m -89.41 123.91 65.73 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.802 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -55.86 149.74 49.59 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.857 2.372 . . . . 0.0 111.754 176.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 49.2 m -63.69 -16.44 61.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.4 -174.482 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -83.25 -21.19 33.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.833 0.349 . . . . 0.0 110.835 175.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.9 mm -81.55 -40.55 18.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.302 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 13' ' ' SER . 8.7 mmm180 55.03 69.66 0.71 Allowed 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 173.55 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 66.5 mtm180 -119.41 127.76 53.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.929 0.395 . . . . 0.0 110.167 175.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.56 146.15 54.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.825 -177.241 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.466 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -94.82 124.4 38.84 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.291 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -96.55 -0.23 49.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.736 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.36 174.57 10.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.956 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.0 t -155.85 148.01 23.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.946 0.403 . . . . 0.0 110.261 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.2 t -83.15 111.43 18.91 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -62.8 -34.61 77.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.16 -175.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.67 -50.62 68.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.039 0.447 . . . . 0.0 111.088 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' CYS . . . . . 0.748 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 34.8 m -95.82 -10.48 28.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.133 -170.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 60.22 24.24 13.61 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.344 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -100.18 133.81 44.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.651 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.466 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 14.7 m -85.22 145.68 7.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.265 0.555 . . . . 0.0 111.21 -177.328 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.431 HD12 ' HB3' ' A' ' 35' ' ' ASN . 7.2 pt -139.31 146.41 25.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.042 -173.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.2 p -86.73 144.76 26.94 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 175.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -71.69 -7.41 47.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -174.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -79.88 -22.95 42.24 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 172.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.55 ' C ' HD22 ' A' ' 35' ' ' ASN . 3.1 m170 -97.81 -64.76 1.01 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.947 176.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.569 ' OD1' ' HA ' ' A' ' 39' ' ' CYS . 0.9 OUTLIER -133.17 126.86 32.58 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -178.564 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.4 tp -71.43 -34.82 54.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.102 -176.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -178.03 137.8 0.19 Allowed 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.5 ttp 65.67 114.97 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.746 0.654 . . . . 0.0 110.5 -174.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.569 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 1.4 p -79.32 173.43 12.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.109 -174.475 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 11.4 pt20 -103.52 8.2 37.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.279 0.562 . . . . 0.0 110.574 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.8 t -111.86 54.08 0.71 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.748 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 54.4 m -92.92 -156.54 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.164 -177.607 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.539 -0.743 . . . . 0.0 110.343 -176.503 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 N--CA 1.484 1.244 0 CA-C-O 120.535 0.207 . . . . 0.0 111.428 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.4 mmt -83.13 125.33 31.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.371 . . . . 0.0 110.43 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 5' ' ' ARG . 21.8 tptm -152.82 129.58 10.88 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.041 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -62.18 110.12 1.52 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 173.099 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.573 ' HB3' HG11 ' A' ' 29' ' ' VAL . 97.1 mtt180 -103.93 47.44 0.88 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.167 0.508 . . . . 0.0 111.139 -175.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.8 m -97.64 -37.97 9.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.817 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -106.57 147.74 29.09 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.164 -176.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HB2' ' HB3' ' A' ' 31' ' ' CYS . 15.0 t -61.21 128.93 38.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.151 -178.724 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.3 m -72.31 -25.09 61.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.489 -177.321 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -84.56 -16.46 42.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.065 0.46 . . . . 0.0 111.039 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.42 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 17.1 m -94.28 132.57 28.86 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.799 175.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.455 ' HB2' HG12 ' A' ' 15' ' ' ILE . 33.6 Cg_exo -55.59 140.63 83.81 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.578 2.185 . . . . 0.0 111.301 177.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.8 t -59.06 -27.87 65.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.066 -171.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 14' ' ' LYS . 74.6 mmtt -84.63 -0.51 53.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 111.757 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.455 HG12 ' HB2' ' A' ' 12' ' ' PRO . 51.6 mm -86.85 -26.41 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.425 0.631 . . . . 0.0 109.463 172.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 55.77 40.98 30.74 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.661 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -85.81 119.82 26.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.335 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -72.1 144.31 48.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.066 0.46 . . . . 0.0 111.038 -173.452 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.26 128.53 39.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.248 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 3.0 m-20 -109.62 -15.61 14.13 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.855 0.36 . . . . 0.0 110.64 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.4 162.03 28.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.022 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 13.7 m -135.44 135.35 40.49 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.454 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.3 t -78.25 111.99 14.78 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 175.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 3.4 mptp? -67.65 -29.26 68.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.396 -169.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -68.37 -42.09 79.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.747 -175.106 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.5 -7.13 12.26 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.823 -174.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.0 mttp 71.66 17.49 5.52 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 177.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -89.06 136.41 33.03 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.573 HG11 ' HB3' ' A' ' 5' ' ' ARG . 18.4 m -92.35 147.64 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.069 0.462 . . . . 0.0 111.605 -176.863 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.5 pt -138.58 152.18 24.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.386 0.612 . . . . 0.0 111.515 -174.058 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 28.6 p -83.68 173.49 11.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.182 -178.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.722 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 48.6 mtp180 -72.38 -4.49 30.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.865 -175.329 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -103.75 -8.48 19.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.001 0.429 . . . . 0.0 110.264 174.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -122.52 7.63 9.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.039 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.722 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -96.31 124.86 40.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.788 0.804 . . . . 0.0 112.325 -177.903 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.5 mt -116.64 21.33 6.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 172.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 56.18 30.24 16.17 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 114.881 -1.054 . . . . 0.0 108.467 -163.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.1 tpt 177.92 139.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.592 -1.632 . . . . 0.0 106.592 -170.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.9 p -89.95 158.38 17.42 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.628 -0.829 . . . . 0.0 110.22 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -51.29 -43.29 61.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 123.424 0.453 . . . . 0.0 111.944 -176.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.0 m -66.39 -27.1 67.6 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -174.64 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 86.1 m -97.38 -12.86 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.818 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.1 t80 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.394 -0.812 . . . . 0.0 110.335 -177.067 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.759 0.314 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -119.83 55.21 0.99 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.184 0.516 . . . . 0.0 109.732 177.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -129.73 95.95 4.11 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.826 -177.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.506 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 4.0 mptp? -81.07 -28.25 35.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.899 -177.416 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -92.04 34.56 1.01 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.112 0.482 . . . . 0.0 111.529 -174.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.1 m -96.49 -24.18 16.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.82 0.819 . . . . 0.0 109.696 173.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -109.6 144.89 37.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.055 -178.081 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.7 t -52.21 126.45 18.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.756 -176.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.4 m -67.11 -33.33 75.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.15 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -69.07 -29.18 67.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.346 176.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.4 m -82.34 140.6 45.33 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.295 177.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -61.49 134.87 53.76 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.353 2.035 . . . . 0.0 110.847 174.302 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.7 m -59.6 -25.43 64.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.274 -173.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -75.29 -18.49 60.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.646 0.26 . . . . 0.0 111.486 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.9 mm -73.32 -38.06 52.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 83.9 mtm180 60.73 58.68 2.34 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.75 -178.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -104.23 122.76 46.04 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 11.2 mptt -68.96 145.54 53.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.461 -171.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.455 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -100.78 113.6 26.65 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -96.42 15.13 22.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.32 0.581 . . . . 0.0 110.169 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.65 157.35 43.39 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.55 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.487 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 15.1 m -142.57 132.32 24.06 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.767 0.318 . . . . 0.0 110.364 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.2 t -77.17 101.73 6.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -59.2 -27.08 65.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.863 -174.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -63.53 -51.65 64.54 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.9 p -110.86 -2.2 16.2 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.513 -0.475 . . . . 0.0 112.113 -173.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.13 34.34 13.72 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.283 0.563 . . . . 0.0 111.248 179.03 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -109.35 134.89 51.26 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.362 174.277 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.487 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 21.0 m -87.56 146.82 5.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.409 -172.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.451 HD12 ' HB2' ' A' ' 35' ' ' ASN . 11.2 pt -139.36 154.16 24.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.205 -174.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.6 p -94.18 148.66 21.97 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 176.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -65.14 -14.34 60.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.933 -173.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -85.34 -21.56 28.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.037 0.446 . . . . 0.0 110.297 177.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -92.27 -42.42 9.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.818 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.451 ' HB2' HD12 ' A' ' 30' ' ' ILE . 2.3 m120 -146.79 179.28 7.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.927 178.326 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.5 mt -90.96 -66.95 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.145 0.498 . . . . 0.0 110.337 177.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -142.33 -42.65 0.33 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.745 -177.221 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.6 mtm -101.03 133.6 45.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.101 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -86.74 150.56 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 177.403 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -105.85 26.01 10.17 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 120.918 0.39 . . . . 0.0 110.989 -172.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.9 m -116.19 18.37 15.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.959 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.1 p -127.94 -86.34 0.58 Allowed 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.179 177.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.0 p90 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 119.03 -0.509 . . . . 0.0 110.472 -179.351 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.725 0.298 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 15.8 tpt -163.39 121.83 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.568 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -129.74 121.22 26.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.22 0.533 . . . . 0.0 110.432 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -87.14 -47.99 8.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.609 -177.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -78.85 4.73 13.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.387 -174.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.2 m -88.81 -17.21 30.21 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.818 0.818 . . . . 0.0 109.225 172.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -112.55 147.21 37.09 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.342 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.0 t -60.3 123.67 17.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.705 -176.154 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.7 m -66.58 -29.56 69.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.233 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -80.74 -18.02 49.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.928 -178.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.647 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 11.5 m -88.49 133.93 35.34 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.663 174.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HB2' HG12 ' A' ' 15' ' ' ILE . 33.6 Cg_exo -57.98 141.96 96.41 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.471 2.114 . . . . 0.0 111.546 178.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.8 m -63.21 -21.48 66.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.8 -0.637 . . . . 0.0 112.147 -174.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -78.41 -18.17 55.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 176.226 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.41 HG12 ' HB2' ' A' ' 12' ' ' PRO . 46.8 mm -81.84 -36.32 14.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.152 178.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 54.95 67.05 1.08 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.942 0.401 . . . . 0.0 111.089 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.647 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 39.2 ttm180 -110.01 120.76 43.48 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.841 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -61.11 148.36 40.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.221 -176.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.06 111.89 23.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.814 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -87.45 -22.42 24.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.93 0.395 . . . . 0.0 110.79 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.07 162.41 17.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.164 0.507 . . . . 0.0 110.781 -177.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.6 m -142.27 148.44 38.08 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.536 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.0 t -93.1 117.92 30.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.088 0.47 . . . . 0.0 110.136 179.277 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -57.34 -41.0 79.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.021 -0.991 . . . . 0.0 113.179 -169.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -75.2 -56.36 4.8 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -174.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.5 p -86.91 -13.25 45.31 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.521 -174.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp 69.14 19.22 8.04 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 122.92 0.488 . . . . 0.0 111.81 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -86.51 138.83 31.42 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 174.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.9 m -92.93 141.76 14.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.113 0.482 . . . . 0.0 110.665 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.9 pt -139.33 146.81 25.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.396 0.617 . . . . 0.0 111.475 -172.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.9 p -81.69 163.2 22.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.11 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.509 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 95.0 mtt180 -67.16 -4.3 9.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.788 -179.145 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -102.57 -5.75 23.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.771 0.32 . . . . 0.0 111.054 176.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -124.07 -2.21 8.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.294 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.509 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 24.7 p-10 -104.63 146.66 28.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.663 0.744 . . . . 0.0 112.381 -170.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.401 HG13 ' HB3' ' A' ' 38' ' ' MET . 32.2 pt -113.91 36.04 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 163.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 58.21 32.52 22.13 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 114.315 -1.311 . . . . 0.0 109.451 -168.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.401 ' HB3' HG13 ' A' ' 36' ' ' ILE . 27.3 ttt 171.39 160.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 106.098 -1.815 . . . . 0.0 106.098 -172.133 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.509 ' SG ' ' HB3' ' A' ' 41' ' ' SER . 0.5 OUTLIER -101.68 142.33 33.2 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.136 175.579 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -72.99 -7.19 50.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.287 -175.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.509 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 28.1 t -75.28 -20.48 59.13 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 175.579 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 89.3 m -98.41 0.58 45.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.219 174.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.4 t80 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.62 -0.705 . . . . 0.0 109.775 -179.039 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.7 tpt -79.16 127.19 31.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.694 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt 64.05 96.83 0.04 OUTLIER 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.758 0.661 . . . . 0.0 112.149 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -68.4 -29.46 68.16 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 172.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -80.33 47.68 0.95 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.183 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.4 m -109.11 -16.93 13.99 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.04 0.924 . . . . 0.0 108.8 172.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' TYR . . . . . 0.4 ' CE2' ' HD3' ' A' ' 18' ' ' LYS . 96.9 m-85 -119.24 142.8 47.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.882 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 18.0 t -52.31 121.15 6.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.112 -173.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.4 m -65.46 -24.02 67.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.102 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.551 ' OH ' ' HB2' ' A' ' 39' ' ' CYS . 6.7 m-85 -83.92 -19.48 34.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.887 178.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.726 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 5.6 m -89.82 156.78 46.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.48 178.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.446 ' HB2' HG12 ' A' ' 15' ' ' ILE . 5.2 Cg_exo -73.67 127.44 11.65 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.479 2.119 . . . . 0.0 110.468 173.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.2 m -57.29 -30.79 65.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.38 -171.197 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -73.03 -13.28 61.19 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.446 HG12 ' HB2' ' A' ' 12' ' ' PRO . 34.8 mm -85.79 -16.7 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.711 0.767 . . . . 0.0 110.105 178.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 57.39 41.62 26.06 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 114.539 -1.209 . . . . 0.0 112.536 172.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.726 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 84.5 mtt180 -83.24 120.99 26.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.946 0.403 . . . . 0.0 110.506 178.421 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.4 ' HD3' ' CE2' ' A' ' 7' ' ' TYR . 72.4 mmtt -63.81 140.72 58.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.571 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -97.09 98.92 10.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.22 176.342 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -84.94 1.23 48.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.973 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.54 162.42 34.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.357 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -147.36 134.17 20.1 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.5 t -68.74 119.26 12.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.463 -178.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -58.33 -35.25 71.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.678 -170.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.535 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 60.3 tttm -79.03 -51.6 9.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -173.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.9 p -98.02 -9.54 25.86 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -172.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt 67.87 18.72 9.62 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 122.963 0.505 . . . . 0.0 112.275 177.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -80.36 149.44 30.23 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 172.34 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.424 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 21.9 m -98.35 140.3 18.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.205 0.526 . . . . 0.0 111.222 -176.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 15.0 pt -138.18 153.8 27.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.835 -174.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 34' ' ' HIS . 18.5 p -91.52 147.81 22.75 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.843 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -68.47 -7.09 28.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.531 -176.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -89.3 -21.8 22.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.445 175.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . 0.543 ' C ' HD22 ' A' ' 35' ' ' ASN . 0.2 OUTLIER -91.57 -58.27 2.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.96 0.409 . . . . 0.0 110.565 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.543 HD22 ' C ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -129.67 -172.28 2.72 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.782 -176.82 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.668 HG23 ' H ' ' A' ' 37' ' ' ASP . 3.6 tp -91.81 -90.98 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.702 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.668 ' H ' HG23 ' A' ' 36' ' ' ILE . 8.3 p-10 -134.11 17.88 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.997 0.903 . . . . 0.0 109.094 172.006 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 55.8 ttp -150.78 135.84 17.58 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.205 -176.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.551 ' HB2' ' OH ' ' A' ' 10' ' ' TYR . 1.3 p -82.79 156.84 23.47 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -178.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -77.58 7.22 5.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.336 -0.393 . . . . 0.0 112.044 -173.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.0 m -107.13 14.88 25.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.942 0.401 . . . . 0.0 110.955 177.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.535 ' SG ' ' HB3' ' A' ' 25' ' ' LYS . 73.6 m -128.52 143.16 50.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 176.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 . . . . . 0 C--O 1.249 1.061 0 O-C-N 124.035 0.835 . . . . 0.0 111.412 178.961 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 120.853 0.359 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 22.9 mmt -111.91 124.32 52.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.405 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -87.29 69.2 9.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.198 0.523 . . . . 0.0 110.52 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -81.11 -36.31 30.52 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.781 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -87.56 17.2 4.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.741 -177.264 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.3 m -108.25 -27.99 9.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.445 0.641 . . . . 0.0 110.32 177.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -112.05 143.89 42.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.744 -176.13 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 t -54.77 120.26 6.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.763 -176.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.3 m -65.68 -26.78 67.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.144 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -81.02 -17.11 51.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.514 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 17' ' ' ARG . 4.9 m -88.69 140.93 29.75 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.19 177.394 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HB2' HG12 ' A' ' 15' ' ' ILE . 23.5 Cg_exo -61.56 138.68 77.12 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.206 1.937 . . . . 0.0 110.461 174.155 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.2 m -60.68 -23.19 64.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.323 -172.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -80.63 -12.45 59.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.653 0.263 . . . . 0.0 111.669 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.421 HG22 ' HG2' ' A' ' 17' ' ' ARG . 49.2 mm -87.46 -32.9 6.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 55.29 71.81 0.52 Allowed 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.094 0.474 . . . . 0.0 111.943 175.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.421 ' HG2' HG22 ' A' ' 15' ' ' ILE . 15.5 mmm180 -107.52 114.65 28.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.25 175.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 133.03 52.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.124 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.44 111.62 21.32 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.037 -177.169 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -94.3 1.89 55.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.162 0.506 . . . . 0.0 110.437 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.55 163.69 28.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.723 177.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.6 m -144.91 157.02 44.29 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.912 0.387 . . . . 0.0 110.555 -178.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.1 t -105.2 98.96 8.59 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -66.58 -11.65 54.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.864 0.364 . . . . 0.0 111.502 -174.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -74.99 -25.65 58.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.576 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 29.4 p -138.67 -5.51 1.54 Allowed 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt 71.34 22.38 4.31 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.18 0.592 . . . . 0.0 112.468 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -89.48 139.68 30.28 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 171.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.5 m -99.4 144.6 11.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.752 0.311 . . . . 0.0 110.965 -176.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 35' ' ' ASN . 5.0 pt -138.93 149.16 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.122 0.487 . . . . 0.0 111.442 -173.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 19.8 p -84.26 168.45 15.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.858 -178.646 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.503 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 41.0 mmt180 -72.75 -1.33 16.07 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -177.327 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -99.76 -10.72 21.53 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 172.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -128.95 22.24 5.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.214 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.592 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.9 OUTLIER -106.72 125.84 51.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.815 0.817 . . . . 0.0 111.881 -173.668 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.47 ' HB ' ' O ' ' A' ' 38' ' ' MET . 16.1 mt -108.53 10.24 9.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 164.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 61.86 21.13 12.03 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 114.431 -1.258 . . . . 0.0 109.077 -166.049 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.47 ' O ' ' HB ' ' A' ' 36' ' ' ILE . 57.3 ttp -172.65 131.92 0.56 Allowed 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 113.001 -1.909 . . . . 0.0 106.603 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.614 ' SG ' ' HB3' ' A' ' 41' ' ' SER . 1.9 p -76.17 156.08 33.99 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -174.559 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 91.6 mt-30 -67.06 -15.74 63.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.804 -176.215 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.614 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 47.6 t -76.86 -18.08 58.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.619 177.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 81.2 m -109.42 -0.64 18.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.985 0.422 . . . . 0.0 110.411 175.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.2 t80 . . . . . 0 C--O 1.251 1.16 0 CA-C-O 118.711 -0.661 . . . . 0.0 110.474 -179.364 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.6 ptm -142.89 149.82 38.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.149 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? 63.93 75.68 0.38 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.421 0.629 . . . . 0.0 111.495 -179.525 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -75.78 -18.9 59.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.598 174.718 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -75.61 18.06 0.26 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.396 178.657 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.9 m -85.92 -20.05 29.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.955 0.883 . . . . 0.0 109.122 171.138 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -124.16 151.8 43.59 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.349 -178.234 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.2 t -52.67 122.85 9.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.159 -0.928 . . . . 0.0 112.018 -175.353 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.5 m -64.29 -27.69 69.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.19 -0.913 . . . . 0.0 111.229 -179.564 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -80.86 -25.36 37.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.162 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 m -83.0 135.56 44.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.477 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.24 143.36 97.19 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.389 2.059 . . . . 0.0 111.669 178.68 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.1 m -64.19 -15.4 59.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.723 -177.388 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -77.94 -18.7 55.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.962 0.41 . . . . 0.0 110.5 175.635 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.6 mm -89.68 -47.83 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.127 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 59.77 70.97 0.6 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.974 0.416 . . . . 0.0 110.55 -177.41 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -98.77 126.88 44.53 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.654 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -56.57 120.68 8.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.063 -177.356 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.61 96.66 9.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.966 177.14 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -78.45 -12.86 60.03 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.025 0.44 . . . . 0.0 110.523 -179.103 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.96 168.18 16.37 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.1 -177.667 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.5 p -144.44 142.4 30.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.698 177.695 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.1 t -79.24 109.05 13.22 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.624 -178.013 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -76.33 69.47 2.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.84 -175.593 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -172.47 -46.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.347 174.98 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.1 p -106.19 -13.83 15.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.358 177.668 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm 69.34 18.86 7.89 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.274 -0.875 . . . . 0.0 112.067 176.649 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -76.51 133.12 39.85 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 171.446 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.7 m -84.97 138.37 19.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.011 0.434 . . . . 0.0 109.978 -178.887 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.5 pt -139.77 153.49 23.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.322 0.582 . . . . 0.0 111.516 -172.229 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.5 p -89.18 140.59 29.31 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 170.597 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.543 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 19.9 mtm180 -77.25 4.53 10.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.183 0.516 . . . . 0.0 111.123 -177.806 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -84.86 -16.27 41.82 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 168.938 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -100.55 -56.86 2.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.216 174.681 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.543 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 2.7 m120 -144.67 144.03 31.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.595 -178.909 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.8 mm -87.58 84.01 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.425 -174.888 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.496 ' OD1' ' HD3' ' A' ' 32' ' ' ARG . 8.2 m-20 60.47 11.4 2.96 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.809 174.672 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 43.6 tpp -154.4 120.47 5.3 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.732 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.495 ' SG ' ' HB3' ' A' ' 41' ' ' SER . 0.8 OUTLIER -78.68 148.58 33.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.102 0.477 . . . . 0.0 109.923 -174.424 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -68.37 -6.77 26.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.066 -176.792 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.495 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 43.4 t -83.74 -12.81 55.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 110.294 176.411 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 97.8 m -106.02 -164.79 1.04 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.253 176.86 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.6 p90 . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.418 -0.801 . . . . 0.0 110.883 -178.067 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 25.4 mmt -111.44 122.82 48.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.835 0.35 . . . . 0.0 110.38 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.516 ' HB3' ' OG1' ' A' ' 6' ' ' THR . 14.5 mmmm -115.29 70.14 0.74 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.138 0.495 . . . . 0.0 110.034 -179.209 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -71.44 -27.23 63.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.197 -177.981 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 -98.58 28.96 3.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.594 0.711 . . . . 0.0 110.636 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.516 ' OG1' ' HB3' ' A' ' 3' ' ' LYS . 88.8 m -112.75 -33.54 6.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.563 172.863 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -103.74 144.97 30.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.627 177.715 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.6 t -51.77 120.73 5.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.361 -176.047 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.0 m -66.99 -30.41 70.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.384 -176.226 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.445 ' CE1' ' HB2' ' A' ' 39' ' ' CYS . 34.0 m-85 -82.93 -11.6 58.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.969 0.414 . . . . 0.0 111.161 -179.784 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 m -85.81 144.56 39.7 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 171.52 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.44 ' HB2' HG12 ' A' ' 15' ' ' ILE . 23.5 Cg_exo -62.86 136.18 55.92 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.389 2.06 . . . . 0.0 110.897 176.546 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.8 m -56.99 -27.09 61.23 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -172.064 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -76.39 -23.59 54.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.751 0.31 . . . . 0.0 111.341 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.44 HG12 ' HB2' ' A' ' 12' ' ' PRO . 46.9 mm -72.96 -35.37 48.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.398 -178.808 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 54.6 66.14 1.31 Allowed 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.419 0.628 . . . . 0.0 111.098 179.077 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -102.4 119.6 39.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.387 178.112 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -62.04 136.22 57.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.785 0.326 . . . . 0.0 110.416 -179.331 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.24 147.64 34.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.456 178.87 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -108.75 -24.01 11.5 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.111 0.481 . . . . 0.0 110.14 -178.507 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.2 168.31 21.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.145 -178.391 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 15.1 m -126.3 133.39 51.41 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.132 179.172 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.6 t -70.76 109.64 5.09 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.556 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -63.88 -20.94 66.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.597 -171.385 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' HG2' ' SD ' ' A' ' 38' ' ' MET . 14.6 mmmm -80.86 -18.1 48.49 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -174.623 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.3 p -140.96 -2.96 1.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.113 -0.635 . . . . 0.0 112.676 -178.334 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt 66.51 20.39 10.86 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 122.565 0.346 . . . . 0.0 111.817 178.64 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -93.56 136.68 33.6 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 175.181 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 34.4 m -93.49 145.0 8.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.304 -171.971 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 35' ' ' ASN . 6.1 pt -137.78 153.51 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.396 0.617 . . . . 0.0 111.884 -172.864 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.9 p -91.23 163.73 14.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.289 177.069 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.47 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 14.6 mmm180 -54.95 -40.32 69.82 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 118.089 0.404 . . . . 0.0 111.433 -177.892 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.42 -22.35 66.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.022 -178.96 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -115.7 15.4 16.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.54 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.55 ' HA ' HD12 ' A' ' 30' ' ' ILE . 6.6 t30 -107.76 124.34 49.9 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -171.004 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.466 ' C ' ' H ' ' A' ' 38' ' ' MET . 34.9 pt -121.83 37.87 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 166.432 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 p30 54.79 8.1 0.2 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.444 1.498 . . . . 0.0 111.543 -167.695 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 38' ' ' MET . . . . . 0.472 ' SD ' ' HG2' ' A' ' 25' ' ' LYS . 22.0 mmt -154.02 173.27 16.23 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 177.442 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.445 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -107.38 148.0 29.64 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.145 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -61.3 -16.3 44.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.814 -172.287 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.2 t -77.51 -18.21 57.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.892 0.377 . . . . 0.0 110.541 178.14 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 25' ' ' LYS . 76.7 m -106.78 -0.46 23.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.939 178.853 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.8 t80 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.687 -0.673 . . . . 0.0 110.164 -179.093 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 121.083 0.468 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.33 51.86 1.06 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.424 0.631 . . . . 0.0 111.022 -177.321 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -105.55 61.37 0.67 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.249 177.644 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -109.4 28.94 8.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.016 178.414 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 -83.61 43.41 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.125 -175.689 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.5 m -88.68 -34.38 17.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.402 0.62 . . . . 0.0 110.688 178.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -113.52 152.92 29.56 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.736 -175.294 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 8.6 t -55.05 125.66 21.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.457 -178.477 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.9 m -63.13 -27.78 69.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.818 -176.896 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.492 ' CE2' ' HB2' ' A' ' 39' ' ' CYS . 11.3 m-85 -85.44 -20.43 29.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.217 0.532 . . . . 0.0 110.989 -179.899 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.454 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 20.0 m -92.96 147.89 34.76 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.948 177.513 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.506 ' HB2' HG12 ' A' ' 15' ' ' ILE . 15.4 Cg_exo -67.34 126.69 15.35 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.892 1.728 . . . . 0.0 110.67 175.79 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.9 m -61.15 -21.94 64.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.068 -175.164 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -82.08 -7.14 59.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 111.343 178.245 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.506 HG12 ' HB2' ' A' ' 12' ' ' PRO . 48.2 mm -92.88 -11.87 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.921 0.867 . . . . 0.0 109.593 175.11 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 61.16 44.19 10.29 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.354 -1.294 . . . . 0.0 112.437 172.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -84.78 107.13 16.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.005 0.431 . . . . 0.0 110.08 176.806 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.18 134.28 53.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.597 -177.026 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.447 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -81.84 99.19 8.88 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.764 179.443 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.7 m-20 -84.37 6.01 24.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.555 178.971 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.89 171.09 18.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.006 0.432 . . . . 0.0 110.803 -178.209 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.1 p -146.37 136.55 23.66 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.953 178.014 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 37' ' ' ASP . 41.4 t -74.57 109.84 8.37 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 176.474 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -67.74 -15.39 63.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.543 -172.897 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.456 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 26.9 tptp -78.25 -30.19 48.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.605 -177.913 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.1 p -131.18 -5.21 3.86 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -177.517 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt 63.56 31.74 14.53 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 122.877 0.471 . . . . 0.0 111.716 -177.987 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -93.71 127.92 39.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 170.053 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.447 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 29.9 m -76.72 140.87 16.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 120.976 0.417 . . . . 0.0 110.836 -177.233 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.0 pt -140.61 164.42 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.499 -176.723 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.2 p -95.6 148.87 22.07 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.563 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 79.0 mtm180 -69.99 -5.38 25.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.269 0.557 . . . . 0.0 110.36 179.254 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -86.02 -12.7 49.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.525 175.187 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -107.12 -42.44 4.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.943 175.665 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.478 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 14.3 t-20 -172.83 166.42 5.25 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 174.744 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.426 HG23 ' OD1' ' A' ' 37' ' ' ASP . 8.4 tp -88.05 -32.5 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.186 -175.072 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.503 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 6.1 p-10 -166.9 10.73 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 178.834 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 85.6 mtp -131.96 125.39 31.47 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.883 -0.51 . . . . 0.0 111.07 -176.759 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.492 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -97.02 154.37 17.35 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 176.175 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -75.4 -8.62 57.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.88 -173.998 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -83.63 0.39 47.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.073 0.464 . . . . 0.0 110.149 177.6 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 25' ' ' LYS . 68.6 m -120.46 175.54 5.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.291 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--O 1.251 1.143 0 O-C-N 124.237 0.961 . . . . 0.0 111.427 175.449 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 38.7 t . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.806 0.336 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.0 mmt -117.64 157.06 27.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.154 -179.202 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? 62.17 55.08 2.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.373 0.606 . . . . 0.0 110.477 -177.255 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -80.62 -24.07 39.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.689 178.364 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -70.87 -4.04 22.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.765 -177.872 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.0 m -76.54 -27.57 55.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.218 0.532 . . . . 0.0 110.261 176.728 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -113.08 137.46 51.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.012 -176.169 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.2 t -58.25 127.25 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.639 -177.596 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.4 m -67.62 -30.49 70.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.209 -178.762 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.551 ' CE1' ' HB2' ' A' ' 39' ' ' CYS . 7.4 m-85 -84.13 -7.12 59.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.192 0.52 . . . . 0.0 111.23 -179.068 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.0 m -99.95 133.34 21.7 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.028 175.09 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.425 ' HB2' HG12 ' A' ' 15' ' ' ILE . 36.3 Cg_exo -55.16 141.62 79.69 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.488 2.125 . . . . 0.0 110.92 175.134 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.8 t -60.28 -23.73 64.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.124 -171.04 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -82.42 -9.42 59.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.744 0.307 . . . . 0.0 111.574 -179.424 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.425 HG12 ' HB2' ' A' ' 12' ' ' PRO . 50.3 mm -81.01 -27.77 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.367 0.603 . . . . 0.0 110.174 178.317 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 55.67 31.92 18.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.617 178.624 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -78.84 118.6 21.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.652 179.423 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 12.1 mptt -72.82 149.48 43.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.218 -176.787 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.463 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -90.13 139.46 30.61 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.311 -178.122 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -102.78 -25.31 13.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.092 0.472 . . . . 0.0 110.454 -178.689 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.76 162.93 31.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.719 -176.533 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.3 m -127.27 133.27 50.19 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.304 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.4 t -71.6 109.4 5.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.93 178.8 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -58.42 -25.89 62.66 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 122.831 0.452 . . . . 0.0 111.82 -175.916 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -75.93 -36.29 59.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -175.249 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 32.0 p -127.14 -3.26 6.34 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.134 -0.627 . . . . 0.0 112.288 -174.852 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt 67.75 13.79 9.31 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.091 0.557 . . . . 0.0 112.421 179.649 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -85.63 142.75 28.86 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.383 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.463 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 22.2 m -98.08 149.2 5.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.25 0.548 . . . . 0.0 112.076 -171.746 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.1 pt -139.87 147.63 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.991 -176.042 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.7 p -83.97 174.11 10.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.761 -176.612 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 32' ' ' ARG . . . . . 0.489 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 55.0 ttp180 -56.73 -44.01 81.2 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.364 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -83.77 8.21 15.37 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.583 -179.344 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -130.91 7.85 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.396 176.093 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.616 ' HA ' HD12 ' A' ' 30' ' ' ILE . 1.1 p-10 -104.01 126.8 51.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.853 0.835 . . . . 0.0 112.342 -173.537 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 8.8 mt -110.42 13.64 8.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 114.336 -1.302 . . . . 0.0 107.691 168.037 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 60.62 21.38 11.25 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.613 -1.176 . . . . 0.0 108.754 -164.911 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 52.2 ttm -170.48 135.56 1.22 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 113.324 -1.762 . . . . 0.0 106.95 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.551 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 1.5 p -83.75 152.67 24.55 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -177.323 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -58.38 -21.46 50.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.388 -171.851 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.3 t -79.68 -18.15 52.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.69 0.281 . . . . 0.0 111.067 -179.479 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 64.3 m -109.32 -12.15 14.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.587 0.232 . . . . 0.0 110.859 178.891 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.243 -177.333 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 121.452 0.644 . . . . 0.0 110.576 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 m -97.36 -13.24 21.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.019 0.914 . . . . 0.0 108.935 172.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -117.67 141.71 48.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.49 -176.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.0 t -51.76 122.07 7.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.786 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 m -61.6 -25.09 67.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.407 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -83.49 -21.46 32.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.803 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 13.3 m -89.98 129.36 46.42 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.165 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.18 143.93 96.15 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 122.56 2.174 . . . . 0.0 111.615 177.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.5 m -64.16 -17.33 63.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.154 -175.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -79.87 -20.31 46.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.929 0.395 . . . . 0.0 110.734 175.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.4 mm -84.55 -35.74 10.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.753 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 51.7 67.35 0.97 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.028 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 17' ' ' ARG . 5.7 tpp180 -98.86 119.1 37.05 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 174.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -59.37 134.86 57.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.867 0.365 . . . . 0.0 110.179 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.12 104.21 16.81 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.722 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -83.22 -16.87 44.79 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.632 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.28 165.78 16.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.353 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 24.2 m -147.65 131.88 17.43 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.853 0.359 . . . . 0.0 110.593 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 37' ' ' ASP . 43.6 t -77.72 121.06 23.51 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.477 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -70.67 -37.2 73.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.195 -168.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -68.31 -35.77 78.3 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.106 0.409 . . . . 0.0 112.106 -174.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.535 ' SG ' ' HB2' ' A' ' 28' ' ' LYS . 30.3 p -112.43 -12.77 13.47 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.566 -177.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 69.08 18.61 8.27 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.281 0.632 . . . . 0.0 111.635 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.535 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 14.2 mptt -83.15 130.52 35.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.96 0.409 . . . . 0.0 109.913 174.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.415 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 27.8 m -82.69 138.97 18.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.361 -178.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.7 pt -138.62 158.14 30.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.362 0.601 . . . . 0.0 111.338 -173.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.507 ' SG ' ' HB3' ' A' ' 33' ' ' GLU . 14.4 p -94.19 142.96 26.81 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 173.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -69.38 -10.98 60.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.404 0.621 . . . . 0.0 110.256 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.507 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 42.8 tt0 -73.62 -19.41 60.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.634 173.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -104.71 -56.66 2.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.608 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 38' ' ' MET . 1.8 m120 -143.97 140.74 29.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.618 -176.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.0 mm -87.02 92.3 3.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.69 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.434 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 15.3 t70 74.1 -43.88 0.55 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.608 174.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.406 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 51.2 ttp -106.75 131.42 53.9 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.289 -0.257 . . . . 0.0 110.324 -178.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -81.81 152.9 26.71 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -65.84 -16.35 63.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.692 -174.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.4 m . . . . . 0 C--N 1.325 -0.477 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -177.842 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.8 mtm-85 . . . . . 0 CA--C 1.528 0.115 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.5 m -108.56 -29.45 8.75 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.582 0.706 . . . . 0.0 109.598 171.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -105.12 143.05 33.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.933 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.4 t -54.5 123.9 14.5 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.784 -177.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.6 m -65.49 -29.45 70.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.234 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -80.99 -20.21 42.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.951 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.1 m -83.92 128.67 62.07 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -51.63 153.5 10.81 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.986 2.457 . . . . 0.0 111.52 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.0 m -64.3 -23.46 67.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.217 -171.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -84.1 -12.01 55.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.119 0.485 . . . . 0.0 110.564 175.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.2 mm -101.95 78.43 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.6 mtm180 -75.97 85.05 2.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.685 -174.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -115.15 126.25 54.39 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.456 173.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -68.02 133.48 49.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.439 -176.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.82 145.05 50.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.195 -177.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -103.0 -37.45 7.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.483 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.9 166.02 19.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.333 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 m -129.91 142.31 50.67 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.316 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.2 t -89.81 107.17 18.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.406 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 24' ' ' LYS . 13.4 mptt -64.14 -26.37 68.5 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.855 -170.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -64.34 -40.39 95.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.622 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . 0.422 ' SG ' ' HG2' ' A' ' 28' ' ' LYS . 28.5 p -120.26 -8.19 9.7 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -173.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.2 mttt 66.08 31.58 8.82 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.134 0.574 . . . . 0.0 111.6 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HG2' ' SG ' ' A' ' 26' ' ' CYS . 34.6 mmtp -99.15 148.46 24.06 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.4 m -105.07 146.98 11.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 120.938 0.399 . . . . 0.0 110.97 -175.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.9 pt -138.18 150.25 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.12 0.486 . . . . 0.0 111.755 -172.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.6 p -89.6 170.71 10.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.406 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.586 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 26.3 mmm180 -59.06 -26.55 64.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.943 0.401 . . . . 0.0 111.594 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -83.39 -11.32 57.72 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.92 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -131.71 22.85 4.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.558 -176.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.586 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -116.99 140.06 49.92 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -178.166 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.3 pt -127.59 34.83 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 114.72 -1.127 . . . . 0.0 108.209 167.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 59.39 26.41 15.3 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.264 -169.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 48.4 ttm -179.58 157.96 0.79 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 -176.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.94 148.03 23.88 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.594 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -58.79 -26.15 63.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.385 -172.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.4 t . . . . . 0 C--N 1.327 -0.401 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.267 -179.342 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 . . . . . 0 N--CA 1.462 0.157 0 CA-C-O 121.12 0.486 . . . . 0.0 110.783 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.44 HG22 ' HG3' ' A' ' 18' ' ' LYS . 32.8 m -66.28 -27.73 68.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.597 174.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -108.65 142.14 39.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.994 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.412 ' HA ' ' HB2' ' A' ' 19' ' ' ALA . 4.1 t -57.32 127.57 32.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.198 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.0 m -64.38 -28.2 69.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.324 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -80.42 -18.71 48.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.047 0.451 . . . . 0.0 110.528 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.1 m -94.81 142.95 25.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.477 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -67.23 135.12 35.93 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.116 1.877 . . . . 0.0 110.48 171.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.0 m -58.56 -26.97 64.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.717 -176.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -72.78 -14.32 61.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 111.098 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.1 mm -82.85 -21.38 9.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.541 0.686 . . . . 0.0 109.959 176.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 59.52 34.26 22.43 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.459 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.436 ' NE ' ' HA ' ' A' ' 17' ' ' ARG . 4.7 tpm_? -85.37 103.41 14.25 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HG3' HG22 ' A' ' 6' ' ' THR . 0.0 OUTLIER -63.56 144.23 57.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.536 -177.203 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.412 ' HB2' ' HA ' ' A' ' 8' ' ' CYS . . . -94.56 100.16 12.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.164 -178.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -84.21 0.52 48.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.924 0.392 . . . . 0.0 110.741 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.62 163.85 28.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.909 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 15.9 p -147.94 125.52 11.75 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.847 0.355 . . . . 0.0 110.919 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -74.03 100.01 3.47 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.636 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -69.15 -13.69 62.56 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.652 -174.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -73.15 -34.24 65.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.067 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 29.6 p -126.98 -3.42 6.43 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.953 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 67.98 36.64 3.29 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.152 0.581 . . . . 0.0 111.66 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.9 mttp -111.58 134.65 53.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.554 174.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.414 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 21.5 m -84.36 144.69 9.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.068 -174.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.48 HD12 ' HB2' ' A' ' 35' ' ' ASN . 9.7 pt -141.67 155.21 20.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.258 0.551 . . . . 0.0 111.42 -174.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.4 p -93.44 144.96 24.86 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 174.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -71.32 -2.6 16.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.937 0.399 . . . . 0.0 111.153 -176.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -83.13 -25.79 31.58 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 172.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -95.22 -61.73 1.43 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.013 177.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.48 ' HB2' HD12 ' A' ' 30' ' ' ILE . 11.3 m120 -134.94 136.1 42.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.562 -177.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.1 tp -69.39 -30.34 45.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.784 -171.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.444 ' O ' HD11 ' A' ' 30' ' ' ILE . 31.4 t70 -164.96 -52.03 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 111.273 -177.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.8 mmt -101.9 143.01 32.32 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 174.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.411 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 1.9 p -76.83 155.69 32.8 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -176.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.44 -20.56 66.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.682 -175.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.8 t . . . . . 0 C--N 1.326 -0.422 0 CA-C-O 120.658 0.266 . . . . 0.0 110.727 179.445 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 121.377 0.608 . . . . 0.0 110.631 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.8 m -106.1 -16.48 14.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.097 0.951 . . . . 0.0 109.006 173.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -107.24 141.82 37.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.041 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.9 t -53.26 124.77 15.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.788 -175.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.0 m -70.68 -27.43 64.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.61 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -77.77 -19.88 54.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.144 0.497 . . . . 0.0 110.526 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.3 m -88.6 139.48 29.71 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.115 175.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -62.66 141.21 84.81 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.502 2.135 . . . . 0.0 111.282 175.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 m -60.55 -23.74 64.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.013 -175.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -75.2 -18.48 60.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.804 0.335 . . . . 0.0 111.246 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.3 mm -81.45 -32.3 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 54.26 52.97 11.64 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.483 0.658 . . . . 0.0 111.025 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.4 tpt85 -92.26 116.41 28.94 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.669 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -59.51 142.08 53.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.444 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.31 140.24 29.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.366 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -112.28 -12.48 13.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.322 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.22 170.27 16.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.841 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.418 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 14.1 m -144.04 131.26 20.73 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.777 0.323 . . . . 0.0 110.639 -178.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.9 t -79.75 100.92 8.16 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 176.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -56.66 -30.74 63.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.965 -174.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -69.04 -31.36 70.08 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -174.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.1 p -125.92 -3.84 7.02 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.712 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.425 ' HB3' ' NZ ' ' A' ' 27' ' ' LYS . 3.9 mmmp? 66.65 28.59 9.12 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.108 0.563 . . . . 0.0 111.852 178.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -97.72 136.4 38.12 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 173.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 23.6 m -96.7 147.14 6.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.954 0.407 . . . . 0.0 111.234 -175.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.5 pt -138.7 151.79 24.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.759 -172.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.1 p -91.86 168.54 11.36 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.481 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.598 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 29.4 mmm180 -54.86 -36.43 65.08 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 111.791 -179.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -75.61 -13.29 60.33 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.015 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -126.79 13.69 7.43 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -175.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.598 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -109.45 140.8 42.74 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -174.015 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.2 pt -128.52 34.06 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 163.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 70.72 -51.03 0.67 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 113.698 -1.592 . . . . 0.0 110.222 -170.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 50.9 ttp -90.87 165.36 13.65 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 172.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 p -94.96 153.16 17.79 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -71.59 -8.35 53.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.294 -174.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.2 m . . . . . 0 C--N 1.325 -0.494 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.764 177.109 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.53 ' HA ' ' NE ' ' A' ' 5' ' ' ARG . 3.3 mmp_? . . . . . 0 N--CA 1.45 -0.474 0 CA-C-O 121.354 0.597 . . . . 0.0 110.827 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.4 m -85.94 -24.45 26.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.177 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -106.6 146.14 31.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.956 -175.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.2 t -55.49 125.06 19.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.659 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.9 m -67.26 -23.31 65.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.362 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -86.11 -18.46 32.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.785 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.7 m -84.5 133.55 44.24 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.721 175.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.85 143.79 95.02 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.934 2.423 . . . . 0.0 111.391 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -65.19 -16.33 63.41 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -176.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -73.24 -15.66 61.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.184 0.516 . . . . 0.0 109.996 173.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.8 mt -117.78 88.04 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.371 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.18 75.8 0.97 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.19 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -99.86 127.74 46.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.33 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.57 140.32 57.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.761 -174.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -83.25 102.72 12.12 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.59 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -81.39 7.01 12.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.312 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.54 169.51 24.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.965 0.412 . . . . 0.0 110.745 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.481 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 45.5 t -143.52 129.3 19.36 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.883 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.63 ' HA ' ' O ' ' A' ' 37' ' ' ASP . 51.1 t -75.41 115.61 15.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.04 -178.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -67.59 -28.04 67.43 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -170.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.6 tttm -73.99 -36.29 64.5 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.846 -174.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.8 p -115.94 -7.58 11.97 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.527 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.1 mttt 65.82 24.99 11.33 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.689 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -96.15 131.84 42.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.002 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.481 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 35.6 m -77.31 144.52 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.307 -178.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.4 pt -144.02 161.84 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.045 -175.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.9 p -97.21 143.57 27.87 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 172.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.468 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 74.3 mtm180 -73.31 -7.17 50.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.855 0.359 . . . . 0.0 111.067 -174.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -84.65 -13.02 52.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.066 0.46 . . . . 0.0 110.148 172.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -98.47 -57.49 2.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.518 172.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.468 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 9.3 m120 -141.48 140.25 33.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.925 -178.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.6 mm -86.27 86.81 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.749 0.309 . . . . 0.0 110.786 -177.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.63 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 14.8 m-20 71.55 -34.42 0.3 Allowed 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.697 175.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.442 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 94.3 mmm -116.73 129.82 56.35 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.61 150.9 27.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.262 0.553 . . . . 0.0 110.486 -173.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -60.85 -26.43 67.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.364 -172.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.2 t . . . . . 0 C--N 1.327 -0.384 0 CA-C-O 121.076 0.465 . . . . 0.0 110.721 179.322 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 . . . . . 0 CA--C 1.533 0.316 0 CA-C-O 121.041 0.448 . . . . 0.0 111.657 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 m -105.56 -17.23 14.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.011 0.91 . . . . 0.0 109.083 171.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -106.99 144.15 34.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.802 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.493 ' HB2' ' HB3' ' A' ' 31' ' ' CYS . 18.8 t -52.57 125.95 18.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.018 -176.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.0 m -68.09 -23.29 64.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.583 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.618 ' CE2' ' HB2' ' A' ' 39' ' ' CYS . 29.5 m-85 -97.04 4.47 51.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.977 0.418 . . . . 0.0 111.377 -178.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 m -111.25 132.29 21.82 Favored Pre-proline 0 C--N 1.315 -0.915 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.318 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.42 149.02 77.15 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 123.01 2.473 . . . . 0.0 112.306 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.0 m -68.01 -11.22 58.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.08 -176.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -86.78 -13.72 44.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.028 0.442 . . . . 0.0 110.85 173.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.1 mm -97.47 -47.83 12.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.01 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 53.19 77.11 0.18 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.589 176.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.0 mmm180 -97.57 120.67 38.36 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 173.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.06 128.72 38.23 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.455 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -76.63 107.24 8.79 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.902 0.382 . . . . 0.0 111.173 -176.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.451 HD22 ' N ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER -90.86 -7.38 52.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.147 0.498 . . . . 0.0 110.341 179.02 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.61 169.05 18.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.737 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.9 p -147.16 149.03 32.18 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.119 0.485 . . . . 0.0 111.076 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.412 ' SG ' ' HA ' ' A' ' 38' ' ' MET . 44.0 t -86.35 95.59 9.7 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -61.17 -22.43 64.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.837 0.351 . . . . 0.0 111.074 -175.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -62.49 -38.58 90.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.749 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.3 p -128.18 -2.89 5.69 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.659 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 68.81 34.8 3.18 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.569 0.748 . . . . 0.0 112.187 178.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -104.71 133.92 48.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 172.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.455 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 26.7 m -86.8 148.42 4.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -173.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.7 pt -140.05 158.29 26.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 121.25 0.548 . . . . 0.0 111.272 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.494 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 24.3 p -90.37 173.92 7.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -175.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.585 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 27.5 mtm180 -69.78 -16.72 63.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.045 0.45 . . . . 0.0 110.941 178.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.494 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 14.0 mp0 -85.67 -10.61 55.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.888 176.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -134.16 28.15 3.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.547 -177.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.585 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -91.19 111.5 23.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 122.02 0.915 . . . . 0.0 112.869 -174.274 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.58 ' HB ' ' O ' ' A' ' 38' ' ' MET . 13.8 mt -113.3 3.54 8.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 168.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.47 22.33 7.91 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 122.559 1.171 . . . . 0.0 108.994 -164.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.58 ' O ' ' HB ' ' A' ' 36' ' ' ILE . 51.5 ttm -168.15 142.03 3.33 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 113.113 -1.858 . . . . 0.0 106.705 -177.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.618 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 7.5 p -87.87 157.31 19.02 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -175.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -66.81 -13.1 61.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.01 -173.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.7 m . . . . . 0 C--N 1.325 -0.473 0 CA-C-O 120.545 0.212 . . . . 0.0 110.866 176.462 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 121.434 0.635 . . . . 0.0 110.368 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.6 m -116.42 -21.15 9.38 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.312 173.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -106.35 145.89 31.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.202 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.438 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 35.9 t -52.86 123.95 12.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 123.732 0.645 . . . . 0.0 111.818 -174.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.3 m -68.97 -31.57 70.53 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.766 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -72.23 -26.12 61.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.889 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.438 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 23.2 m -90.29 138.38 27.19 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.118 176.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -58.74 138.55 86.37 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.222 1.948 . . . . 0.0 110.29 172.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.9 m -61.47 -20.76 63.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.724 -174.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -72.49 -17.12 61.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.388 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.9 mm -80.66 -21.78 11.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.158 0.504 . . . . 0.0 110.931 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 62.51 33.5 15.96 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.211 176.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -85.16 116.35 23.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.242 -175.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.5 145.59 49.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.445 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -106.27 117.8 34.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.24 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -109.48 17.24 21.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.011 176.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.14 164.35 30.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.615 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 12.8 p -154.24 132.88 12.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.518 0.199 . . . . 0.0 111.304 -177.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.592 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 43.3 t -75.97 117.95 18.23 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 176.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -70.83 -19.02 62.7 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.951 0.405 . . . . 0.0 110.866 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -99.45 15.15 27.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.758 0.313 . . . . 0.0 111.515 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.6 m -142.81 -22.72 0.65 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.889 174.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 65.2 20.23 11.9 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 123.112 0.565 . . . . 0.0 110.152 -174.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -103.98 141.32 36.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.228 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.437 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 27.7 m -91.35 144.47 9.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.114 0.483 . . . . 0.0 111.242 -175.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.45 HD12 ' HB3' ' A' ' 35' ' ' ASN . 13.8 pt -136.05 156.23 36.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.299 -178.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.446 ' SG ' ' HB2' ' A' ' 34' ' ' HIS . 18.9 p -86.29 145.75 26.8 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.524 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 84.1 mtm180 -66.35 -15.52 63.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.827 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -77.61 -21.05 52.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.811 175.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.446 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -93.02 -45.1 8.08 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.698 176.211 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.524 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 15.5 t-20 -166.92 155.74 10.32 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 173.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.1 tp -78.55 -20.67 13.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.227 -172.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -168.57 -46.57 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -175.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 65.1 mtt -95.41 156.8 16.17 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.987 0.422 . . . . 0.0 111.618 -172.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.592 ' HB3' ' HB2' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -123.26 137.29 54.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.192 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -90.91 26.96 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.751 -173.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.6 m . . . . . 0 C--N 1.321 -0.656 0 CA-C-O 120.922 0.392 . . . . 0.0 110.556 178.271 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 . . . . . 0 N--CA 1.455 -0.207 0 CA-C-O 120.851 0.357 . . . . 0.0 111.448 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.1 m -95.36 -25.68 16.2 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.422 0.629 . . . . 0.0 110.457 175.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -109.56 143.42 39.25 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.847 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.8 t -56.17 128.66 36.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.554 -175.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.5 m -69.27 -26.0 64.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.346 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -88.7 -16.61 31.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.962 0.411 . . . . 0.0 111.242 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.463 ' SG ' ' HD3' ' A' ' 17' ' ' ARG . 12.9 m -84.77 126.5 68.24 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.433 ' HB2' HG12 ' A' ' 15' ' ' ILE . 51.6 Cg_exo -52.91 143.87 47.19 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.018 2.479 . . . . 0.0 112.029 -178.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.4 m -63.54 -20.62 65.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.213 -173.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -90.03 -0.09 57.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.932 0.396 . . . . 0.0 111.018 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.433 HG12 ' HB2' ' A' ' 12' ' ' PRO . 46.4 mm -97.35 -42.81 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.704 174.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 56.56 73.11 0.46 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.245 177.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.463 ' HD3' ' SG ' ' A' ' 11' ' ' CYS . 74.3 ttt180 -111.1 127.46 55.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.997 178.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -57.38 140.5 50.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.078 -178.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.36 141.07 28.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.508 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -116.13 -7.42 11.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.573 -175.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.71 179.74 8.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.796 -178.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 23.2 t -152.93 143.67 22.82 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.716 0.293 . . . . 0.0 110.263 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.444 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 49.9 t -76.9 111.16 12.14 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 173.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -66.26 -16.6 64.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.396 0.617 . . . . 0.0 110.616 -174.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -82.88 -37.88 23.69 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.48 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.9 m -121.9 1.73 9.9 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -169.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 68.99 1.44 3.17 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 175.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -76.12 128.22 34.54 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.442 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 28.1 m -89.34 142.59 12.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.082 0.468 . . . . 0.0 110.837 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 35' ' ' ASN . 1.8 pt -138.67 152.51 24.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.431 -171.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.7 p -88.0 166.68 14.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.94 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -66.19 -5.58 10.67 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -177.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -98.29 -22.88 15.89 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.911 0.386 . . . . 0.0 110.344 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -114.28 6.99 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.369 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.527 ' HA ' HD12 ' A' ' 30' ' ' ILE . 23.6 p-10 -99.83 134.3 42.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.708 0.765 . . . . 0.0 111.762 -175.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.7 pt -123.93 34.63 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 114.937 -1.028 . . . . 0.0 108.715 171.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 62.85 17.42 9.93 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.341 -1.3 . . . . 0.0 110.758 -173.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.7 ptp -173.63 177.58 2.48 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 177.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 23' ' ' CYS . 6.6 p -106.47 146.07 31.01 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.319 -177.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -67.5 -10.31 50.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.075 -173.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.326 -0.452 0 CA-C-O 121.051 0.453 . . . . 0.0 110.375 178.206 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 . . . . . 0 N--CA 1.461 0.11 0 CA-C-O 120.84 0.353 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 55.8 m -103.38 -16.12 15.72 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.551 0.691 . . . . 0.0 109.79 174.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -117.98 139.53 51.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.742 -175.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.419 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 12.5 t -54.95 120.62 7.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.723 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.1 m -60.11 -27.81 67.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.66 -177.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -87.44 -16.23 35.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.422 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.419 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 6.8 m -87.71 142.75 32.87 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.211 177.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -64.0 135.35 47.26 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.192 1.928 . . . . 0.0 110.917 174.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 m -61.73 -21.74 64.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.244 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -63.24 -28.74 70.24 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.082 0.468 . . . . 0.0 110.572 174.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.1 mm -78.96 -29.78 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.536 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 58.11 41.74 23.43 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.79 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -80.4 109.79 15.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.393 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -65.82 136.32 56.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.05 177.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.71 128.63 35.62 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.054 -177.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -103.55 0.55 31.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.247 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.67 165.07 25.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.204 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 33.5 p -147.41 135.42 21.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.763 0.316 . . . . 0.0 111.475 -177.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.4 t -84.59 99.33 10.7 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 175.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.5 tptt -55.85 -31.01 62.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.485 -169.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -62.78 -47.67 82.48 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -176.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.5 p -104.56 -8.11 19.24 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.351 -176.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm 70.09 14.99 7.72 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.044 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -87.21 135.79 33.17 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 177.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.434 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 31.0 m -88.24 148.11 4.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.992 -176.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 pt -145.63 162.25 11.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.668 -174.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.4 p -97.81 144.8 27.03 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -67.15 -14.21 62.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.028 0.442 . . . . 0.0 110.86 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -72.67 -20.41 61.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.663 174.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -105.28 -58.91 1.83 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.611 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.459 ' HB3' ' O ' ' A' ' 38' ' ' MET . 15.3 m120 -145.78 138.79 25.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.422 -175.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.3 tt -89.66 79.53 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.767 0.794 . . . . 0.0 111.029 -177.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 61.37 17.16 8.08 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.389 176.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.459 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 22.5 ptm -146.01 115.64 7.22 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -89.1 168.08 12.61 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -177.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -81.5 -1.39 45.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.998 -172.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.8 t . . . . . 0 C--N 1.323 -0.571 0 CA-C-O 121.013 0.435 . . . . 0.0 110.824 -179.361 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 . . . . . 0 N--CA 1.454 -0.23 0 CA-C-O 121.42 0.629 . . . . 0.0 110.196 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.2 m -103.24 -43.86 5.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.207 176.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -101.19 142.19 32.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.488 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.0 t -47.89 123.23 5.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.889 -178.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.2 m -70.16 -19.79 63.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.106 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -86.41 -25.49 25.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.214 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 7.4 m -79.02 140.83 57.91 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.539 178.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 38.6 Cg_exo -60.79 148.59 91.54 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.66 2.24 . . . . 0.0 111.118 174.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.5 m -62.87 -22.07 66.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 112.079 -174.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -77.07 -20.28 56.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.981 0.42 . . . . 0.0 110.605 175.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.5 mt -107.16 77.47 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.609 0.719 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -72.27 97.72 2.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.454 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -116.47 127.13 54.29 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.02 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -63.86 131.81 48.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.054 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.91 107.18 14.42 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.064 -178.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -95.55 24.64 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.119 0.485 . . . . 0.0 110.368 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.24 158.69 36.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.305 -0.861 . . . . 0.0 108.975 174.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.2 m -155.98 136.98 13.61 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -177.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 4.0 t -76.93 119.84 21.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 177.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -72.91 -28.36 62.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.296 -168.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -88.01 -36.43 17.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.657 0.265 . . . . 0.0 111.354 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.4 m -95.1 -15.48 23.35 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -175.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 65.65 23.89 11.63 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.842 0.457 . . . . 0.0 112.022 177.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -98.73 131.86 44.55 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.1 m -92.04 140.95 15.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.971 0.415 . . . . 0.0 110.579 -177.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 35' ' ' ASN . 4.6 pt -137.68 147.94 25.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.026 -173.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.549 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 21.2 p -81.89 163.56 22.18 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -57.22 -36.9 71.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.882 0.373 . . . . 0.0 110.661 -176.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -67.34 -25.08 65.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.268 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -112.67 20.63 16.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.821 0.343 . . . . 0.0 110.324 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.549 ' HB3' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -115.08 140.72 48.83 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -170.715 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.6 pt -131.39 28.96 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 164.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 t70 72.4 -42.04 0.52 Allowed 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 114.121 -1.4 . . . . 0.0 110.214 -168.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 62.5 mtm -95.09 170.33 9.49 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 172.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 23' ' ' CYS . 11.5 p -104.38 146.44 28.83 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.998 0.428 . . . . 0.0 109.892 178.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -62.64 -19.57 63.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.827 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 t . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -178.429 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 . . . . . 0 N--CA 1.453 -0.31 0 CA-C-O 121.501 0.667 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.0 m -87.92 -16.73 33.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.3 -0.864 . . . . 0.0 108.788 171.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -117.62 147.32 42.97 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.38 -177.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.8 t -57.68 125.21 21.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.466 -178.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.2 m -66.24 -29.59 69.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.079 -178.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -79.97 -21.31 43.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.7 m -83.61 128.99 61.57 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.85 152.72 48.3 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.825 2.35 . . . . 0.0 112.498 -177.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.8 t -53.57 -44.68 69.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.463 0.171 . . . . 0.0 111.463 -175.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -67.37 -16.29 64.16 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.973 0.416 . . . . 0.0 111.138 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.6 mm -101.48 71.93 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 176.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.587 ' H ' ' HD2' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -61.93 92.49 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 122.01 0.909 . . . . 0.0 111.081 -178.212 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -119.85 116.64 26.27 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.189 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -62.03 140.51 58.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.804 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.14 125.95 33.22 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.024 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -111.43 11.78 21.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.121 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.23 167.44 28.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.692 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.421 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 47.1 p -157.16 131.38 8.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.984 0.421 . . . . 0.0 111.133 -177.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.9 t -84.1 96.92 9.07 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -36.9 61.11 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -170.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -63.33 -34.43 77.68 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -174.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.8 p -111.04 -5.92 14.72 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.954 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 67.21 17.77 10.32 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.043 178.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -89.66 125.37 35.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.05 0.453 . . . . 0.0 110.432 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.421 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 35.6 m -81.57 145.2 9.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.514 -179.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.3 pt -142.9 167.69 14.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.173 0.511 . . . . 0.0 110.913 -175.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.9 p -99.21 146.48 26.13 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.611 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 50.4 mtm180 -69.54 -4.88 20.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 -177.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -84.57 -25.84 28.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.796 174.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -89.39 -35.33 16.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.212 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.611 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 23.4 t-20 -171.52 159.76 5.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.562 172.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.7 tp -60.39 -52.4 61.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -177.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -172.28 32.85 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.633 0.73 . . . . 0.0 110.685 -178.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 54.9 mtt -143.43 147.29 34.37 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 6.1 p -97.26 173.45 7.21 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.202 177.442 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -91.58 -22.65 20.21 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.185 0.517 . . . . 0.0 109.853 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.9 m . . . . . 0 C--N 1.324 -0.536 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.458 -177.23 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 121.213 0.53 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.1 m -97.7 -23.13 16.08 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.611 0.72 . . . . 0.0 109.564 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -102.85 141.62 35.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.532 -176.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.2 t -55.72 124.24 16.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.772 -176.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.0 m -66.8 -30.44 70.64 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.291 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -81.01 -22.87 39.06 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.428 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.521 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 12.2 m -79.95 132.63 59.93 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 175.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.39 145.43 36.39 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.812 2.341 . . . . 0.0 111.55 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -65.62 -11.98 49.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.475 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -79.09 -18.29 53.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 175.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.0 mm -84.65 -50.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.82 -176.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 55.16 66.07 1.33 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.896 0.379 . . . . 0.0 111.903 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.521 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 7.5 ptp180 -119.51 142.61 48.15 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 174.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 4.0 mppt? -75.03 142.27 43.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.285 -171.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.18 134.47 33.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.058 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -112.92 24.67 12.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.879 0.847 . . . . 0.0 109.509 176.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.82 160.06 38.83 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.416 176.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.446 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 44.7 p -146.53 131.65 18.34 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.845 0.355 . . . . 0.0 110.553 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.7 t -80.59 91.22 5.78 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -55.99 -28.72 58.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.089 -177.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -54.11 -40.38 67.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.436 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 29.3 p -126.14 2.68 7.17 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.837 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm 65.01 36.32 7.52 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.03 0.532 . . . . 0.0 112.112 176.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -116.0 135.25 54.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.446 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 32.2 m -88.8 142.15 13.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.164 0.507 . . . . 0.0 111.574 -173.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 35' ' ' ASN . 9.4 pt -138.6 149.86 23.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.812 -175.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.8 p -80.84 162.3 24.06 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -58.67 -36.18 73.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 118.156 0.435 . . . . 0.0 111.307 -174.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -69.95 -22.48 63.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.082 0.468 . . . . 0.0 110.754 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -106.29 16.12 25.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.054 0.454 . . . . 0.0 109.904 177.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.481 ' HA ' HD12 ' A' ' 30' ' ' ILE . 8.9 t30 -114.94 119.82 37.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.489 -177.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.1 pt -111.55 37.4 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 169.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.466 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 23.6 m-20 59.77 33.24 21.72 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.757 -170.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 52.6 tpp 172.05 151.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.537 -1.21 . . . . 0.0 107.837 -172.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.15 152.9 21.66 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -62.51 -18.12 61.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.105 -171.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.8 t . . . . . 0 C--N 1.326 -0.439 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 -178.92 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 . . . . . 0 CA--C 1.528 0.128 0 CA-C-O 121.413 0.625 . . . . 0.0 111.427 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.6 m -119.89 -19.64 7.84 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.447 -0.797 . . . . 0.0 108.887 172.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -115.48 137.66 51.83 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.224 -177.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.5 t -52.1 119.8 4.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.755 -175.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.9 m -65.72 -27.21 68.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.936 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -78.72 -23.97 45.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.98 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.546 ' SG ' ' HD3' ' A' ' 17' ' ' ARG . 13.3 m -80.94 144.39 55.13 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 174.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.449 ' HB2' HG12 ' A' ' 15' ' ' ILE . 33.5 Cg_exo -58.1 134.13 59.99 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.268 1.979 . . . . 0.0 111.306 178.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.8 m -58.47 -27.06 64.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.61 -171.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -79.83 -13.13 59.63 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.298 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.449 HG12 ' HB2' ' A' ' 12' ' ' PRO . 44.2 mm -86.77 -39.87 13.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.398 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 53.1 75.51 0.24 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.336 178.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.546 ' HD3' ' SG ' ' A' ' 11' ' ' CYS . 66.5 mtp180 -100.17 132.27 45.64 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 172.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -64.15 127.96 33.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.988 0.423 . . . . 0.0 110.375 -176.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.77 116.5 28.95 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.924 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -103.9 26.09 9.1 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.48 0.657 . . . . 0.0 109.928 178.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.408 ' HB3' HG13 ' A' ' 30' ' ' ILE . . . -149.7 154.77 39.08 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.787 177.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 p -145.92 128.1 15.71 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.055 0.455 . . . . 0.0 110.688 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 52.2 t -74.85 113.44 12.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.737 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.45 -24.94 67.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.745 -169.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 19.2 ttpt -77.82 -39.89 42.23 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.541 -175.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.7 p -112.29 -8.07 13.96 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.365 -0.534 . . . . 0.0 112.181 -173.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp 66.09 32.31 8.31 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.686 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -104.35 138.49 40.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 174.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.0 m -89.78 144.79 8.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.305 0.574 . . . . 0.0 111.549 -175.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.408 HG13 ' HB3' ' A' ' 21' ' ' ALA . 8.9 pt -139.6 154.29 24.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.861 -175.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' A' ' 34' ' ' HIS . 17.7 p -90.57 150.95 21.53 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -66.36 -21.32 66.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.48 -171.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -86.46 -7.82 58.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.37 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.576 ' C ' HD22 ' A' ' 35' ' ' ASN . 0.0 OUTLIER -99.21 -61.02 1.42 Allowed 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.805 178.194 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.576 HD22 ' C ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -132.25 152.52 51.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.658 -173.31 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.9 tp -94.6 79.56 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.514 0.673 . . . . 0.0 111.085 -177.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 71.28 -51.75 0.69 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.437 176.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.5 mmt -97.34 139.13 33.75 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.527 ' SG ' ' HB2' ' A' ' 41' ' ' SER . 0.5 OUTLIER -86.69 146.06 26.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.93 0.395 . . . . 0.0 110.22 -175.699 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -64.8 -18.74 65.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.125 -176.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.527 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 49.3 m . . . . . 0 C--N 1.325 -0.478 0 CA-C-O 120.932 0.396 . . . . 0.0 110.118 174.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 . . . . . 0 C--O 1.227 -0.095 0 CA-C-O 121.444 0.64 . . . . 0.0 110.52 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.4 m -104.03 -6.06 21.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.178 0.99 . . . . 0.0 108.99 173.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -113.91 138.34 50.45 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.026 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.43 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 17.9 t -54.53 121.34 8.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.454 -175.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.0 m -63.71 -27.48 69.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.271 -178.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 39' ' ' CYS . 13.1 m-85 -85.57 -13.95 47.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.511 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.43 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 9.5 m -93.39 138.7 22.93 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 174.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.469 ' HB2' HG12 ' A' ' 15' ' ' ILE . 24.2 Cg_exo -59.86 132.4 44.85 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.058 1.839 . . . . 0.0 110.54 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.4 m -60.1 -23.29 63.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.137 -174.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -71.2 -19.16 62.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.804 0.335 . . . . 0.0 111.125 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.469 HG12 ' HB2' ' A' ' 12' ' ' PRO . 48.3 mm -81.68 -20.49 10.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.386 0.613 . . . . 0.0 110.598 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 58.47 35.06 24.45 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.573 176.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -82.0 115.92 21.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.151 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -70.49 158.26 36.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.662 -177.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.55 113.91 17.4 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.061 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -102.06 5.62 40.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.143 0.497 . . . . 0.0 110.158 177.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.44 153.98 37.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.327 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 m -141.42 138.58 33.05 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.957 0.408 . . . . 0.0 110.951 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.2 t -79.08 119.23 21.91 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 12.7 mptt -73.82 -19.01 60.87 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -172.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -85.66 -4.36 59.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.1 p -149.96 -12.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.371 -0.532 . . . . 0.0 112.291 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm 69.3 22.03 6.79 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.45 0.7 . . . . 0.0 111.807 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -85.51 140.4 30.69 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 170.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.9 m -93.95 143.85 10.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.247 0.546 . . . . 0.0 111.568 -173.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.585 HD12 ' HA ' ' A' ' 35' ' ' ASN . 6.6 pt -137.12 150.57 26.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.74 -176.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 23.7 p -83.08 164.65 20.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.356 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -75.18 14.68 0.52 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.926 0.393 . . . . 0.0 111.262 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.403 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 41.3 mt-10 -111.68 -9.57 14.12 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 171.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -130.03 27.55 5.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.649 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.585 ' HA ' HD12 ' A' ' 30' ' ' ILE . 7.8 t30 -115.04 125.52 53.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.589 0.709 . . . . 0.0 112.781 -170.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.4 pt -124.95 32.45 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.743 167.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.8 t70 61.47 20.25 11.02 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 122.549 1.166 . . . . 0.0 109.773 -172.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 43.6 ttm -171.85 158.86 4.99 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.186 -1.37 . . . . 0.0 107.642 -175.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.546 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 1.8 p -100.35 153.23 19.49 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 175.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -59.45 -22.62 61.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.738 -176.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.3 m . . . . . 0 C--N 1.325 -0.467 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 178.957 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 . . . . . 0 CA--C 1.53 0.187 0 CA-C-O 121.11 0.481 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.2 m -95.98 -18.85 19.95 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.601 0.715 . . . . 0.0 109.817 175.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -105.03 139.15 40.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.645 -176.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.7 t -55.97 123.1 13.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.762 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.0 m -64.72 -27.59 69.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.396 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -76.62 -20.49 56.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.774 177.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 m -89.41 123.91 65.73 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.802 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -55.86 149.74 49.59 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.857 2.372 . . . . 0.0 111.754 176.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 49.2 m -63.69 -16.44 61.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.4 -174.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -83.25 -21.19 33.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.833 0.349 . . . . 0.0 110.835 175.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.9 mm -81.55 -40.55 18.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.302 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 13' ' ' SER . 8.7 mmm180 55.03 69.66 0.71 Allowed 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 173.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 66.5 mtm180 -119.41 127.76 53.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.929 0.395 . . . . 0.0 110.167 175.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.56 146.15 54.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.825 -177.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.466 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -94.82 124.4 38.84 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.291 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -96.55 -0.23 49.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.736 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.36 174.57 10.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.956 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.0 t -155.85 148.01 23.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.946 0.403 . . . . 0.0 110.261 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.2 t -83.15 111.43 18.91 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -62.8 -34.61 77.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.16 -175.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.67 -50.62 68.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.039 0.447 . . . . 0.0 111.088 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 34.8 m -95.82 -10.48 28.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.133 -170.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 60.22 24.24 13.61 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.344 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -100.18 133.81 44.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.651 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.466 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 14.7 m -85.22 145.68 7.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.265 0.555 . . . . 0.0 111.21 -177.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.431 HD12 ' HB3' ' A' ' 35' ' ' ASN . 7.2 pt -139.31 146.41 25.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.042 -173.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.2 p -86.73 144.76 26.94 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 175.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -71.69 -7.41 47.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -174.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -79.88 -22.95 42.24 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 172.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.55 ' C ' HD22 ' A' ' 35' ' ' ASN . 3.1 m170 -97.81 -64.76 1.01 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.947 176.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.569 ' OD1' ' HA ' ' A' ' 39' ' ' CYS . 0.9 OUTLIER -133.17 126.86 32.58 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -178.564 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.4 tp -71.43 -34.82 54.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.102 -176.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -178.03 137.8 0.19 Allowed 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.5 ttp 65.67 114.97 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.746 0.654 . . . . 0.0 110.5 -174.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.569 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 1.4 p -79.32 173.43 12.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.109 -174.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -103.52 8.2 37.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.279 0.562 . . . . 0.0 110.574 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.8 t . . . . . 0 C--N 1.322 -0.596 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 176.896 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.573 ' HB3' HG11 ' A' ' 29' ' ' VAL . 97.1 mtt180 . . . . . 0 N--CA 1.455 -0.21 0 CA-C-O 121.167 0.508 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.8 m -97.64 -37.97 9.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.817 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -106.57 147.74 29.09 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.164 -176.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HB2' ' HB3' ' A' ' 31' ' ' CYS . 15.0 t -61.21 128.93 38.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.151 -178.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.3 m -72.31 -25.09 61.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.489 -177.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -84.56 -16.46 42.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.065 0.46 . . . . 0.0 111.039 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.42 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 17.1 m -94.28 132.57 28.86 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.799 175.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.455 ' HB2' HG12 ' A' ' 15' ' ' ILE . 33.6 Cg_exo -55.59 140.63 83.81 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.578 2.185 . . . . 0.0 111.301 177.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.8 t -59.06 -27.87 65.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.066 -171.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 14' ' ' LYS . 74.6 mmtt -84.63 -0.51 53.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 111.757 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.455 HG12 ' HB2' ' A' ' 12' ' ' PRO . 51.6 mm -86.85 -26.41 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.425 0.631 . . . . 0.0 109.463 172.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 55.77 40.98 30.74 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.661 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -85.81 119.82 26.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.335 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -72.1 144.31 48.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.066 0.46 . . . . 0.0 111.038 -173.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.26 128.53 39.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.248 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.453 HD22 ' N ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER -109.62 -15.61 14.13 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.855 0.36 . . . . 0.0 110.64 -179.551 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.4 162.03 28.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.022 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 13.7 m -135.44 135.35 40.49 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.454 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.3 t -78.25 111.99 14.78 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 175.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 3.4 mptp? -67.65 -29.26 68.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.396 -169.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -68.37 -42.09 79.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.747 -175.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.5 -7.13 12.26 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.823 -174.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.0 mttp 71.66 17.49 5.52 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 177.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -89.06 136.41 33.03 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.573 HG11 ' HB3' ' A' ' 5' ' ' ARG . 18.4 m -92.35 147.64 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.069 0.462 . . . . 0.0 111.605 -176.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.5 pt -138.58 152.18 24.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.386 0.612 . . . . 0.0 111.515 -174.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 28.6 p -83.68 173.49 11.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.182 -178.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.722 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 48.6 mtp180 -72.38 -4.49 30.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.865 -175.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -103.75 -8.48 19.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.001 0.429 . . . . 0.0 110.264 174.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -122.52 7.63 9.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.039 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.722 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -96.31 124.86 40.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.788 0.804 . . . . 0.0 112.325 -177.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.5 mt -116.64 21.33 6.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 172.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 56.18 30.24 16.17 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 114.881 -1.054 . . . . 0.0 108.467 -163.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.1 tpt 177.92 139.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.592 -1.632 . . . . 0.0 106.592 -170.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.9 p -89.95 158.38 17.42 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.628 -0.829 . . . . 0.0 110.22 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -51.29 -43.29 61.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 123.424 0.453 . . . . 0.0 111.944 -176.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 C--N 1.329 -0.309 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -174.64 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 121.112 0.482 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.1 m -96.49 -24.18 16.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.82 0.819 . . . . 0.0 109.696 173.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -109.6 144.89 37.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.055 -178.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.7 t -52.21 126.45 18.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.756 -176.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.4 m -67.11 -33.33 75.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.15 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -69.07 -29.18 67.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.346 176.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.4 m -82.34 140.6 45.33 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.295 177.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -61.49 134.87 53.76 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.353 2.035 . . . . 0.0 110.847 174.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.7 m -59.6 -25.43 64.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.274 -173.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -75.29 -18.49 60.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.646 0.26 . . . . 0.0 111.486 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.9 mm -73.32 -38.06 52.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 83.9 mtm180 60.73 58.68 2.34 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.75 -178.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -104.23 122.76 46.04 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 11.2 mptt -68.96 145.54 53.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.461 -171.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.455 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -100.78 113.6 26.65 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -96.42 15.13 22.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.32 0.581 . . . . 0.0 110.169 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.65 157.35 43.39 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.55 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.487 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 15.1 m -142.57 132.32 24.06 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.767 0.318 . . . . 0.0 110.364 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.2 t -77.17 101.73 6.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -59.2 -27.08 65.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.863 -174.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -63.53 -51.65 64.54 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.9 p -110.86 -2.2 16.2 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.513 -0.475 . . . . 0.0 112.113 -173.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.13 34.34 13.72 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.283 0.563 . . . . 0.0 111.248 179.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -109.35 134.89 51.26 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.362 174.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.487 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 21.0 m -87.56 146.82 5.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.409 -172.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.451 HD12 ' HB2' ' A' ' 35' ' ' ASN . 11.2 pt -139.36 154.16 24.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.205 -174.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.6 p -94.18 148.66 21.97 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 176.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -65.14 -14.34 60.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.933 -173.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -85.34 -21.56 28.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.037 0.446 . . . . 0.0 110.297 177.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -92.27 -42.42 9.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.818 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.451 ' HB2' HD12 ' A' ' 30' ' ' ILE . 2.3 m120 -146.79 179.28 7.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.927 178.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.5 mt -90.96 -66.95 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.145 0.498 . . . . 0.0 110.337 177.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -142.33 -42.65 0.33 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.745 -177.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.6 mtm -101.03 133.6 45.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.101 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -86.74 150.56 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 177.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -105.85 26.01 10.17 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 120.918 0.39 . . . . 0.0 110.989 -172.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.9 m . . . . . 0 C--N 1.325 -0.471 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.959 -179.543 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 . . . . . 0 N--CA 1.462 0.154 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.2 m -88.81 -17.21 30.21 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.818 0.818 . . . . 0.0 109.225 172.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -112.55 147.21 37.09 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.342 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.0 t -60.3 123.67 17.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.705 -176.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.7 m -66.58 -29.56 69.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.233 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -80.74 -18.02 49.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.928 -178.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.647 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 11.5 m -88.49 133.93 35.34 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.663 174.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HB2' HG12 ' A' ' 15' ' ' ILE . 33.6 Cg_exo -57.98 141.96 96.41 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.471 2.114 . . . . 0.0 111.546 178.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.8 m -63.21 -21.48 66.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.8 -0.637 . . . . 0.0 112.147 -174.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -78.41 -18.17 55.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 176.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.41 HG12 ' HB2' ' A' ' 12' ' ' PRO . 46.8 mm -81.84 -36.32 14.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.152 178.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 54.95 67.05 1.08 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.942 0.401 . . . . 0.0 111.089 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.647 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 39.2 ttm180 -110.01 120.76 43.48 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.841 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -61.11 148.36 40.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.221 -176.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.06 111.89 23.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.814 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -87.45 -22.42 24.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.93 0.395 . . . . 0.0 110.79 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.07 162.41 17.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.164 0.507 . . . . 0.0 110.781 -177.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.6 m -142.27 148.44 38.08 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.536 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.0 t -93.1 117.92 30.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.088 0.47 . . . . 0.0 110.136 179.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -57.34 -41.0 79.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.021 -0.991 . . . . 0.0 113.179 -169.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -75.2 -56.36 4.8 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -174.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.5 p -86.91 -13.25 45.31 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.521 -174.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp 69.14 19.22 8.04 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 122.92 0.488 . . . . 0.0 111.81 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -86.51 138.83 31.42 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 174.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.9 m -92.93 141.76 14.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.113 0.482 . . . . 0.0 110.665 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.9 pt -139.33 146.81 25.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.396 0.617 . . . . 0.0 111.475 -172.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.9 p -81.69 163.2 22.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.11 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.509 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 95.0 mtt180 -67.16 -4.3 9.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.788 -179.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -102.57 -5.75 23.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.771 0.32 . . . . 0.0 111.054 176.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -124.07 -2.21 8.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.294 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.509 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 24.7 p-10 -104.63 146.66 28.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.663 0.744 . . . . 0.0 112.381 -170.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.401 HG13 ' HB3' ' A' ' 38' ' ' MET . 32.2 pt -113.91 36.04 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 163.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 58.21 32.52 22.13 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 114.315 -1.311 . . . . 0.0 109.451 -168.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.401 ' HB3' HG13 ' A' ' 36' ' ' ILE . 27.3 ttt 171.39 160.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 106.098 -1.815 . . . . 0.0 106.098 -172.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.509 ' SG ' ' HB3' ' A' ' 41' ' ' SER . 0.5 OUTLIER -101.68 142.33 33.2 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.136 175.579 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -72.99 -7.19 50.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.287 -175.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.509 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 28.1 t . . . . . 0 C--N 1.324 -0.502 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 175.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 . . . . . 0 N--CA 1.454 -0.228 0 CA-C-O 121.537 0.684 . . . . 0.0 111.183 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.4 m -109.11 -16.93 13.99 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.04 0.924 . . . . 0.0 108.8 172.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . 0.4 ' CE2' ' HD3' ' A' ' 18' ' ' LYS . 96.9 m-85 -119.24 142.8 47.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.882 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 18.0 t -52.31 121.15 6.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.112 -173.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.4 m -65.46 -24.02 67.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.102 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.551 ' OH ' ' HB2' ' A' ' 39' ' ' CYS . 6.7 m-85 -83.92 -19.48 34.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.887 178.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.726 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 5.6 m -89.82 156.78 46.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.48 178.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.446 ' HB2' HG12 ' A' ' 15' ' ' ILE . 5.2 Cg_exo -73.67 127.44 11.65 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.479 2.119 . . . . 0.0 110.468 173.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.2 m -57.29 -30.79 65.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.38 -171.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -73.03 -13.28 61.19 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.446 HG12 ' HB2' ' A' ' 12' ' ' PRO . 34.8 mm -85.79 -16.7 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.711 0.767 . . . . 0.0 110.105 178.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 57.39 41.62 26.06 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 114.539 -1.209 . . . . 0.0 112.536 172.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.726 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 84.5 mtt180 -83.24 120.99 26.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.946 0.403 . . . . 0.0 110.506 178.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.4 ' HD3' ' CE2' ' A' ' 7' ' ' TYR . 72.4 mmtt -63.81 140.72 58.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.571 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -97.09 98.92 10.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.22 176.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -84.94 1.23 48.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.973 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.54 162.42 34.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.357 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -147.36 134.17 20.1 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.5 t -68.74 119.26 12.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.463 -178.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -58.33 -35.25 71.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.678 -170.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.3 tttm -79.03 -51.6 9.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -173.711 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.9 p -98.02 -9.54 25.86 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -172.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt 67.87 18.72 9.62 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 122.963 0.505 . . . . 0.0 112.275 177.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -80.36 149.44 30.23 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 172.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.424 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 21.9 m -98.35 140.3 18.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.205 0.526 . . . . 0.0 111.222 -176.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 15.0 pt -138.18 153.8 27.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.835 -174.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 34' ' ' HIS . 18.5 p -91.52 147.81 22.75 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -68.47 -7.09 28.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.531 -176.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -89.3 -21.8 22.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.445 175.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . 0.543 ' C ' HD22 ' A' ' 35' ' ' ASN . 0.2 OUTLIER -91.57 -58.27 2.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.96 0.409 . . . . 0.0 110.565 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.543 HD22 ' C ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -129.67 -172.28 2.72 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.782 -176.82 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.668 HG23 ' H ' ' A' ' 37' ' ' ASP . 3.6 tp -91.81 -90.98 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.702 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.668 ' H ' HG23 ' A' ' 36' ' ' ILE . 8.3 p-10 -134.11 17.88 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.997 0.903 . . . . 0.0 109.094 172.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 55.8 ttp -150.78 135.84 17.58 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.205 -176.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.551 ' HB2' ' OH ' ' A' ' 10' ' ' TYR . 1.3 p -82.79 156.84 23.47 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -178.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -77.58 7.22 5.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.336 -0.393 . . . . 0.0 112.044 -173.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.0 m . . . . . 0 C--N 1.325 -0.471 0 CA-C-O 120.942 0.401 . . . . 0.0 110.955 177.2 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 . . . . . 0 CA--C 1.526 0.047 0 CA-C-O 121.085 0.469 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.3 m -108.25 -27.99 9.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.445 0.641 . . . . 0.0 110.32 177.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -112.05 143.89 42.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.744 -176.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 t -54.77 120.26 6.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.763 -176.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.3 m -65.68 -26.78 67.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.144 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -81.02 -17.11 51.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.514 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 17' ' ' ARG . 4.9 m -88.69 140.93 29.75 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.19 177.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HB2' HG12 ' A' ' 15' ' ' ILE . 23.5 Cg_exo -61.56 138.68 77.12 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.206 1.937 . . . . 0.0 110.461 174.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.2 m -60.68 -23.19 64.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.323 -172.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -80.63 -12.45 59.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.653 0.263 . . . . 0.0 111.669 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.421 HG22 ' HG2' ' A' ' 17' ' ' ARG . 49.2 mm -87.46 -32.9 6.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 55.29 71.81 0.52 Allowed 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.094 0.474 . . . . 0.0 111.943 175.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.421 ' HG2' HG22 ' A' ' 15' ' ' ILE . 15.5 mmm180 -107.52 114.65 28.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.25 175.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 133.03 52.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.124 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.44 111.62 21.32 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.037 -177.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -94.3 1.89 55.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.162 0.506 . . . . 0.0 110.437 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.55 163.69 28.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.723 177.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.6 m -144.91 157.02 44.29 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.912 0.387 . . . . 0.0 110.555 -178.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.1 t -105.2 98.96 8.59 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -66.58 -11.65 54.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.864 0.364 . . . . 0.0 111.502 -174.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -74.99 -25.65 58.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.576 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 29.4 p -138.67 -5.51 1.54 Allowed 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt 71.34 22.38 4.31 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.18 0.592 . . . . 0.0 112.468 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -89.48 139.68 30.28 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 171.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.5 m -99.4 144.6 11.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.752 0.311 . . . . 0.0 110.965 -176.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 35' ' ' ASN . 5.0 pt -138.93 149.16 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.122 0.487 . . . . 0.0 111.442 -173.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 19.8 p -84.26 168.45 15.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.858 -178.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.503 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 41.0 mmt180 -72.75 -1.33 16.07 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -177.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -99.76 -10.72 21.53 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 172.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -128.95 22.24 5.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.214 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.592 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.9 OUTLIER -106.72 125.84 51.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.815 0.817 . . . . 0.0 111.881 -173.668 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.47 ' HB ' ' O ' ' A' ' 38' ' ' MET . 16.1 mt -108.53 10.24 9.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 164.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 61.86 21.13 12.03 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 114.431 -1.258 . . . . 0.0 109.077 -166.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.47 ' O ' ' HB ' ' A' ' 36' ' ' ILE . 57.3 ttp -172.65 131.92 0.56 Allowed 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 113.001 -1.909 . . . . 0.0 106.603 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.614 ' SG ' ' HB3' ' A' ' 41' ' ' SER . 1.9 p -76.17 156.08 33.99 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -174.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -67.06 -15.74 63.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.804 -176.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.614 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 47.6 t . . . . . 0 C--N 1.324 -0.509 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.619 177.851 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 . . . . . 0 CA--C 1.53 0.201 0 CA-C-O 121.136 0.493 . . . . 0.0 111.396 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.9 m -85.92 -20.05 29.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.955 0.883 . . . . 0.0 109.122 171.138 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -124.16 151.8 43.59 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.349 -178.234 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.2 t -52.67 122.85 9.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.159 -0.928 . . . . 0.0 112.018 -175.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.5 m -64.29 -27.69 69.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.19 -0.913 . . . . 0.0 111.229 -179.564 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -80.86 -25.36 37.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.162 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 m -83.0 135.56 44.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.477 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.24 143.36 97.19 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.389 2.059 . . . . 0.0 111.669 178.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.1 m -64.19 -15.4 59.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.723 -177.388 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -77.94 -18.7 55.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.962 0.41 . . . . 0.0 110.5 175.635 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.6 mm -89.68 -47.83 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.127 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 59.77 70.97 0.6 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.974 0.416 . . . . 0.0 110.55 -177.41 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -98.77 126.88 44.53 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -56.57 120.68 8.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.063 -177.356 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.61 96.66 9.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.966 177.14 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -78.45 -12.86 60.03 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.025 0.44 . . . . 0.0 110.523 -179.103 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.96 168.18 16.37 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.1 -177.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.5 p -144.44 142.4 30.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.698 177.695 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.1 t -79.24 109.05 13.22 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.624 -178.013 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -76.33 69.47 2.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.84 -175.593 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -172.47 -46.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.347 174.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.1 p -106.19 -13.83 15.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.358 177.668 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm 69.34 18.86 7.89 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.274 -0.875 . . . . 0.0 112.067 176.649 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -76.51 133.12 39.85 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 171.446 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.7 m -84.97 138.37 19.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.011 0.434 . . . . 0.0 109.978 -178.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.5 pt -139.77 153.49 23.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.322 0.582 . . . . 0.0 111.516 -172.229 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.5 p -89.18 140.59 29.31 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 170.597 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.543 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 19.9 mtm180 -77.25 4.53 10.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.183 0.516 . . . . 0.0 111.123 -177.806 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -84.86 -16.27 41.82 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 168.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -100.55 -56.86 2.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.216 174.681 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.543 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 2.7 m120 -144.67 144.03 31.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.595 -178.909 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.8 mm -87.58 84.01 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.425 -174.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.496 ' OD1' ' HD3' ' A' ' 32' ' ' ARG . 8.2 m-20 60.47 11.4 2.96 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.809 174.672 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 43.6 tpp -154.4 120.47 5.3 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.495 ' SG ' ' HB3' ' A' ' 41' ' ' SER . 0.8 OUTLIER -78.68 148.58 33.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.102 0.477 . . . . 0.0 109.923 -174.424 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -68.37 -6.77 26.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.066 -176.792 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.495 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 43.4 t . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 110.294 176.411 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 . . . . . 0 N--CA 1.456 -0.143 0 CA-C-O 121.594 0.711 . . . . 0.0 110.636 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 88.8 m -112.75 -33.54 6.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.563 172.863 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -103.74 144.97 30.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.627 177.715 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.6 t -51.77 120.73 5.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.361 -176.047 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.0 m -66.99 -30.41 70.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.384 -176.226 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.445 ' CE1' ' HB2' ' A' ' 39' ' ' CYS . 34.0 m-85 -82.93 -11.6 58.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.969 0.414 . . . . 0.0 111.161 -179.784 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 m -85.81 144.56 39.7 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 171.52 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.44 ' HB2' HG12 ' A' ' 15' ' ' ILE . 23.5 Cg_exo -62.86 136.18 55.92 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.389 2.06 . . . . 0.0 110.897 176.546 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.8 m -56.99 -27.09 61.23 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -172.064 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -76.39 -23.59 54.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.751 0.31 . . . . 0.0 111.341 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.44 HG12 ' HB2' ' A' ' 12' ' ' PRO . 46.9 mm -72.96 -35.37 48.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.398 -178.808 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 54.6 66.14 1.31 Allowed 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.419 0.628 . . . . 0.0 111.098 179.077 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -102.4 119.6 39.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.387 178.112 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -62.04 136.22 57.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.785 0.326 . . . . 0.0 110.416 -179.331 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.24 147.64 34.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.456 178.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -108.75 -24.01 11.5 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.111 0.481 . . . . 0.0 110.14 -178.507 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.2 168.31 21.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.145 -178.391 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 15.1 m -126.3 133.39 51.41 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.132 179.172 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.6 t -70.76 109.64 5.09 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.556 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -63.88 -20.94 66.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.597 -171.385 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' HG2' ' SD ' ' A' ' 38' ' ' MET . 14.6 mmmm -80.86 -18.1 48.49 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -174.623 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.3 p -140.96 -2.96 1.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.113 -0.635 . . . . 0.0 112.676 -178.334 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt 66.51 20.39 10.86 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 122.565 0.346 . . . . 0.0 111.817 178.64 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -93.56 136.68 33.6 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 175.181 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 34.4 m -93.49 145.0 8.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.304 -171.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 35' ' ' ASN . 6.1 pt -137.78 153.51 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.396 0.617 . . . . 0.0 111.884 -172.864 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.9 p -91.23 163.73 14.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.289 177.069 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.47 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 14.6 mmm180 -54.95 -40.32 69.82 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 118.089 0.404 . . . . 0.0 111.433 -177.892 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.42 -22.35 66.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.022 -178.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -115.7 15.4 16.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.54 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.55 ' HA ' HD12 ' A' ' 30' ' ' ILE . 6.6 t30 -107.76 124.34 49.9 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -171.004 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.466 ' C ' ' H ' ' A' ' 38' ' ' MET . 34.9 pt -121.83 37.87 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 166.432 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 p30 54.79 8.1 0.2 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.444 1.498 . . . . 0.0 111.543 -167.695 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . 0.472 ' SD ' ' HG2' ' A' ' 25' ' ' LYS . 22.0 mmt -154.02 173.27 16.23 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 177.442 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.445 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -107.38 148.0 29.64 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.145 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -61.3 -16.3 44.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.814 -172.287 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.2 t . . . . . 0 C--N 1.328 -0.335 0 CA-C-O 120.892 0.377 . . . . 0.0 110.541 178.14 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 121.215 0.531 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.5 m -88.68 -34.38 17.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.402 0.62 . . . . 0.0 110.688 178.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -113.52 152.92 29.56 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.736 -175.294 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 8.6 t -55.05 125.66 21.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.457 -178.477 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.9 m -63.13 -27.78 69.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.818 -176.896 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.492 ' CE2' ' HB2' ' A' ' 39' ' ' CYS . 11.3 m-85 -85.44 -20.43 29.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.217 0.532 . . . . 0.0 110.989 -179.899 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.454 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 20.0 m -92.96 147.89 34.76 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.948 177.513 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.506 ' HB2' HG12 ' A' ' 15' ' ' ILE . 15.4 Cg_exo -67.34 126.69 15.35 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.892 1.728 . . . . 0.0 110.67 175.79 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.9 m -61.15 -21.94 64.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.068 -175.164 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -82.08 -7.14 59.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 111.343 178.245 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.506 HG12 ' HB2' ' A' ' 12' ' ' PRO . 48.2 mm -92.88 -11.87 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.921 0.867 . . . . 0.0 109.593 175.11 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 61.16 44.19 10.29 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.354 -1.294 . . . . 0.0 112.437 172.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -84.78 107.13 16.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.005 0.431 . . . . 0.0 110.08 176.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.18 134.28 53.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.597 -177.026 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.447 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -81.84 99.19 8.88 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.764 179.443 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.482 HD22 ' N ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER -84.37 6.01 24.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.555 178.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.89 171.09 18.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.006 0.432 . . . . 0.0 110.803 -178.209 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.1 p -146.37 136.55 23.66 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.953 178.014 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 37' ' ' ASP . 41.4 t -74.57 109.84 8.37 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 176.474 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -67.74 -15.39 63.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.543 -172.897 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -78.25 -30.19 48.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.605 -177.913 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.1 p -131.18 -5.21 3.86 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -177.517 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt 63.56 31.74 14.53 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 122.877 0.471 . . . . 0.0 111.716 -177.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -93.71 127.92 39.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 170.053 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.447 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 29.9 m -76.72 140.87 16.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 120.976 0.417 . . . . 0.0 110.836 -177.233 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.0 pt -140.61 164.42 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.499 -176.723 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.2 p -95.6 148.87 22.07 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.563 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 79.0 mtm180 -69.99 -5.38 25.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.269 0.557 . . . . 0.0 110.36 179.254 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -86.02 -12.7 49.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.525 175.187 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -107.12 -42.44 4.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.943 175.665 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.478 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 14.3 t-20 -172.83 166.42 5.25 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 174.744 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.426 HG23 ' OD1' ' A' ' 37' ' ' ASP . 8.4 tp -88.05 -32.5 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.186 -175.072 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.503 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 6.1 p-10 -166.9 10.73 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 178.834 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 85.6 mtp -131.96 125.39 31.47 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.883 -0.51 . . . . 0.0 111.07 -176.759 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.492 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -97.02 154.37 17.35 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 176.175 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -75.4 -8.62 57.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.88 -173.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--N 1.325 -0.498 0 CA-C-O 121.073 0.464 . . . . 0.0 110.149 177.6 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.768 0.318 . . . . 0.0 111.765 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.0 m -76.54 -27.57 55.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.218 0.532 . . . . 0.0 110.261 176.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -113.08 137.46 51.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.012 -176.169 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.2 t -58.25 127.25 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.639 -177.596 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.4 m -67.62 -30.49 70.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.209 -178.762 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.551 ' CE1' ' HB2' ' A' ' 39' ' ' CYS . 7.4 m-85 -84.13 -7.12 59.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.192 0.52 . . . . 0.0 111.23 -179.068 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.0 m -99.95 133.34 21.7 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.028 175.09 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' PRO . . . . . 0.425 ' HB2' HG12 ' A' ' 15' ' ' ILE . 36.3 Cg_exo -55.16 141.62 79.69 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.488 2.125 . . . . 0.0 110.92 175.134 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.8 t -60.28 -23.73 64.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.124 -171.04 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -82.42 -9.42 59.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.744 0.307 . . . . 0.0 111.574 -179.424 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.425 HG12 ' HB2' ' A' ' 12' ' ' PRO . 50.3 mm -81.01 -27.77 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.367 0.603 . . . . 0.0 110.174 178.317 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 55.67 31.92 18.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.617 178.624 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -78.84 118.6 21.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.652 179.423 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 12.1 mptt -72.82 149.48 43.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.218 -176.787 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.463 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -90.13 139.46 30.61 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.311 -178.122 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -102.78 -25.31 13.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.092 0.472 . . . . 0.0 110.454 -178.689 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.76 162.93 31.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.719 -176.533 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.3 m -127.27 133.27 50.19 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.304 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.4 t -71.6 109.4 5.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.93 178.8 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -58.42 -25.89 62.66 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 122.831 0.452 . . . . 0.0 111.82 -175.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -75.93 -36.29 59.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -175.249 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 32.0 p -127.14 -3.26 6.34 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.134 -0.627 . . . . 0.0 112.288 -174.852 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt 67.75 13.79 9.31 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.091 0.557 . . . . 0.0 112.421 179.649 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -85.63 142.75 28.86 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.383 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.463 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 22.2 m -98.08 149.2 5.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.25 0.548 . . . . 0.0 112.076 -171.746 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.1 pt -139.87 147.63 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.991 -176.042 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.7 p -83.97 174.11 10.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.761 -176.612 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' ARG . . . . . 0.489 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 55.0 ttp180 -56.73 -44.01 81.2 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.364 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -83.77 8.21 15.37 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.583 -179.344 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -130.91 7.85 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.396 176.093 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' ASN . . . . . 0.616 ' HA ' HD12 ' A' ' 30' ' ' ILE . 1.1 p-10 -104.01 126.8 51.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.853 0.835 . . . . 0.0 112.342 -173.537 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 8.8 mt -110.42 13.64 8.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 114.336 -1.302 . . . . 0.0 107.691 168.037 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 60.62 21.38 11.25 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.613 -1.176 . . . . 0.0 108.754 -164.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 52.2 ttm -170.48 135.56 1.22 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 113.324 -1.762 . . . . 0.0 106.95 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.551 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 1.5 p -83.75 152.67 24.55 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -177.323 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -58.38 -21.46 50.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.388 -171.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 120.69 0.281 . . . . 0.0 111.067 -179.479 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.481 1.083 0 CA-C-O 120.853 0.358 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 23.0 mmt -93.88 81.28 4.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.291 0.567 . . . . 0.0 109.937 -179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.584 ' HD3' ' H ' ' A' ' 3' ' ' LYS . 0.2 OUTLIER -105.65 177.54 4.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.492 -0.776 . . . . 0.0 110.147 -178.808 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 25.6 pttm 43.6 34.42 0.81 Allowed 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.959 0.904 . . . . 0.0 111.916 -177.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.3 ptt180 -91.08 23.23 3.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.452 0.644 . . . . 0.0 110.576 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.2 m -97.36 -13.24 21.99 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-O 122.019 0.914 . . . . 0.0 108.935 172.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -117.67 141.71 48.07 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 114.825 -1.08 . . . . 0.0 110.49 -176.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 10.0 t -51.76 122.07 7.61 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 114.995 -1.002 . . . . 0.0 111.786 -176.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.8 m -61.6 -25.09 67.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.157 -0.929 . . . . 0.0 111.407 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -83.49 -21.46 32.81 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.803 178.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.419 ' SG ' ' HB3' ' A' ' 17' ' ' ARG . 13.3 m -89.98 129.36 46.42 Favored Pre-proline 0 C--N 1.324 -0.536 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.165 178.322 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.7 Cg_exo -58.18 143.93 96.15 Favored 'Trans proline' 0 C--O 1.234 0.325 0 C-N-CA 122.56 2.174 . . . . 0.0 111.615 177.023 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.5 m -64.16 -17.33 63.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.072 -0.513 . . . . 0.0 112.154 -175.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -79.87 -20.31 46.22 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.929 0.395 . . . . 0.0 110.734 175.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.4 mm -84.55 -35.74 10.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.753 178.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.3 mtp180 51.7 67.35 0.97 Allowed 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.26 -0.427 . . . . 0.0 112.028 178.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 17' ' ' ARG . 5.7 tpp180 -98.86 119.1 37.05 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 174.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 72.0 mmtt -59.37 134.86 57.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.867 0.365 . . . . 0.0 110.179 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.12 104.21 16.81 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.722 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 80.6 m-20 -83.22 -16.87 44.79 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.632 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.28 165.78 16.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.353 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.415 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 24.2 m -147.65 131.88 17.43 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-O 120.853 0.359 . . . . 0.0 110.593 -179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.434 ' HA ' ' O ' ' A' ' 37' ' ' ASP . 43.6 t -77.72 121.06 23.51 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.935 -0.575 . . . . 0.0 109.477 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 44.8 mmtm -70.67 -37.2 73.64 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.137 -0.483 . . . . 0.0 112.195 -168.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -68.31 -35.77 78.3 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.106 0.409 . . . . 0.0 112.106 -174.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.535 ' SG ' ' HB2' ' A' ' 28' ' ' LYS . 30.3 p -112.43 -12.77 13.47 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.57 -0.452 . . . . 0.0 111.566 -177.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 69.08 18.61 8.27 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 123.281 0.632 . . . . 0.0 111.635 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.535 ' HB2' ' SG ' ' A' ' 26' ' ' CYS . 14.2 mptt -83.15 130.52 35.11 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.96 0.409 . . . . 0.0 109.913 174.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.415 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 27.8 m -82.69 138.97 18.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.788 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.361 -178.006 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.7 pt -138.62 158.14 30.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-O 121.362 0.601 . . . . 0.0 111.338 -173.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.507 ' SG ' ' HB3' ' A' ' 33' ' ' GLU . 14.4 p -94.19 142.96 26.81 Favored 'General case' 0 C--N 1.32 -0.717 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 173.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -69.38 -10.98 60.36 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.404 0.621 . . . . 0.0 110.256 -179.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.507 ' HB3' ' SG ' ' A' ' 31' ' ' CYS . 42.8 tt0 -73.62 -19.41 60.87 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.81 -1.086 . . . . 0.0 109.634 173.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.3 m170 -104.71 -56.66 2.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.608 176.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.406 ' HB3' ' O ' ' A' ' 38' ' ' MET . 1.8 m120 -143.97 140.74 29.81 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.618 -176.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 50.0 mm -87.02 92.3 3.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.69 -179.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.434 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 15.3 t70 74.1 -43.88 0.55 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.339 -0.846 . . . . 0.0 112.608 174.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.406 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 51.2 ttp -106.75 131.42 53.9 Favored 'General case' 0 C--N 1.321 -0.645 0 O-C-N 122.289 -0.257 . . . . 0.0 110.324 -178.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -81.81 152.9 26.71 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 -179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -65.84 -16.35 63.75 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.692 -174.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.4 m -87.51 4.62 42.77 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -177.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 85.0 m -123.03 150.41 43.1 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 121.046 -0.262 . . . . 0.0 110.859 176.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.177 -0.916 . . . . 0.0 110.849 179.481 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.478 0.972 0 CA-C-O 121.006 0.431 . . . . 0.0 110.6 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 95.4 mmm -102.04 65.11 0.97 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 121.096 0.475 . . . . 0.0 109.983 176.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 47.2 tptt -76.88 101.92 6.13 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -68.22 -36.45 79.54 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.948 -174.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.8 mtm-85 -86.84 27.45 1.0 Allowed 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -176.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 68.5 m -108.56 -29.45 8.75 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 121.582 0.706 . . . . 0.0 109.598 171.103 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 67.7 m-85 -105.12 143.05 33.83 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.933 178.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 14.4 t -54.5 123.9 14.5 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.784 -177.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.6 m -65.49 -29.45 70.11 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.194 -0.912 . . . . 0.0 111.234 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -80.99 -20.21 42.33 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.951 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.1 m -83.92 128.67 62.07 Favored Pre-proline 0 C--N 1.322 -0.611 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 174.479 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -51.63 153.5 10.81 Favored 'Trans proline' 0 C--N 1.345 0.348 0 C-N-CA 122.986 2.457 . . . . 0.0 111.52 177.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 11.0 m -64.3 -23.46 67.31 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.217 -171.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm -84.1 -12.01 55.74 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.119 0.485 . . . . 0.0 110.564 175.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 38.2 mm -101.95 78.43 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 N-CA-C 108.77 -0.826 . . . . 0.0 108.77 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 70.6 mtm180 -75.97 85.05 2.88 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.531 -0.758 . . . . 0.0 111.685 -174.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 62.1 mtp180 -115.15 126.25 54.39 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.707 -0.679 . . . . 0.0 109.456 173.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -68.02 133.48 49.09 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.439 -176.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -70.82 145.05 50.56 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.195 -177.548 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.8 t30 -103.0 -37.45 7.78 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.483 -178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -127.9 166.02 19.1 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.333 -178.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 m -129.91 142.31 50.67 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.316 178.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.2 t -89.81 107.17 18.95 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.406 177.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 24' ' ' LYS . 13.4 mptt -64.14 -26.37 68.5 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.855 -170.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -64.34 -40.39 95.79 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.622 -176.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.422 ' SG ' ' HG2' ' A' ' 28' ' ' LYS . 28.5 p -120.26 -8.19 9.7 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 111.94 0.348 . . . . 0.0 111.94 -173.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 99.2 mttt 66.08 31.58 8.82 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 123.134 0.574 . . . . 0.0 111.6 -179.359 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.422 ' HG2' ' SG ' ' A' ' 26' ' ' CYS . 34.6 mmtp -99.15 148.46 24.06 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.026 -0.731 . . . . 0.0 109.026 173.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.4 m -105.07 146.98 11.53 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-O 120.938 0.399 . . . . 0.0 110.97 -175.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.495 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.9 pt -138.18 150.25 24.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.12 0.486 . . . . 0.0 111.755 -172.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.6 p -89.6 170.71 10.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.406 -178.458 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.586 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 26.3 mmm180 -59.06 -26.55 64.7 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.943 0.401 . . . . 0.0 111.594 179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -83.39 -11.32 57.72 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.92 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -131.71 22.85 4.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.522 -0.308 . . . . 0.0 111.558 -176.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.586 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -116.99 140.06 49.92 Favored 'General case' 0 C--N 1.329 -0.304 0 N-CA-C 113.092 0.775 . . . . 0.0 113.092 -178.166 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 31.3 pt -127.59 34.83 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 114.72 -1.127 . . . . 0.0 108.209 167.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 59.39 26.41 15.3 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 114.685 -1.143 . . . . 0.0 110.264 -169.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 48.4 ttm -179.58 157.96 0.79 Allowed 'General case' 0 C--N 1.321 -0.643 0 N-CA-C 106.401 -1.703 . . . . 0.0 106.401 -176.308 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.94 148.03 23.88 Favored 'General case' 0 C--N 1.316 -0.874 0 C-N-CA 119.765 -0.774 . . . . 0.0 109.594 179.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.2 tp-100 -58.79 -26.15 63.8 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 114.926 -1.034 . . . . 0.0 112.385 -172.384 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.4 t -70.68 -25.02 62.79 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.673 -0.239 . . . . 0.0 111.267 -179.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 68.9 m -101.61 8.81 41.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.381 . . . . 0.0 110.188 178.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 72.0 t80 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.45 -0.786 . . . . 0.0 110.257 -178.695 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 26.2 t . . . . . 0 N--CA 1.48 1.048 0 CA-C-O 121.075 0.464 . . . . 0.0 110.1 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 38.6 tpp -167.03 149.19 6.11 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.031 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.0 mptt -91.22 86.24 6.11 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.334 -0.617 . . . . 0.0 109.334 176.065 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.576 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -109.64 2.21 20.09 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.63 -175.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -72.62 -13.69 61.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.12 0.486 . . . . 0.0 110.783 177.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.44 HG22 ' HG3' ' A' ' 18' ' ' LYS . 32.8 m -66.28 -27.73 68.16 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.597 174.172 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.3 m-85 -108.65 142.14 39.58 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.994 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.412 ' HA ' ' HB2' ' A' ' 19' ' ' ALA . 4.1 t -57.32 127.57 32.64 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.198 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.0 m -64.38 -28.2 69.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.324 -178.647 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -80.42 -18.71 48.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.047 0.451 . . . . 0.0 110.528 177.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.1 m -94.81 142.95 25.37 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.477 177.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 15.5 Cg_exo -67.23 135.12 35.93 Favored 'Trans proline' 0 N--CA 1.458 -0.561 0 C-N-CA 122.116 1.877 . . . . 0.0 110.48 171.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.0 m -58.56 -26.97 64.14 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.717 -176.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -72.78 -14.32 61.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.803 0.335 . . . . 0.0 111.098 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 52.1 mm -82.85 -21.38 9.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.541 0.686 . . . . 0.0 109.959 176.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.8 mmt180 59.52 34.26 22.43 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 114.806 -1.088 . . . . 0.0 111.459 177.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.436 ' NE ' ' HA ' ' A' ' 17' ' ' ARG . 4.7 tpm_? -85.37 103.41 14.25 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.368 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.44 ' HG3' HG22 ' A' ' 6' ' ' THR . 0.0 OUTLIER -63.56 144.23 57.17 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.536 -177.203 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.412 ' HB2' ' HA ' ' A' ' 8' ' ' CYS . . . -94.56 100.16 12.18 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.384 -0.825 . . . . 0.0 111.164 -178.407 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -84.21 0.52 48.44 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.924 0.392 . . . . 0.0 110.741 179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.62 163.85 28.51 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.909 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.414 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 15.9 p -147.94 125.52 11.75 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-O 120.847 0.355 . . . . 0.0 110.919 -178.549 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.5 t -74.03 100.01 3.47 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.636 179.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.1 mtmm -69.15 -13.69 62.56 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.652 -174.449 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 52.4 tptt -73.15 -34.24 65.94 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.067 -179.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 29.6 p -126.98 -3.42 6.43 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.73 -0.388 . . . . 0.0 111.953 -178.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 13.9 mptt 67.98 36.64 3.29 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 123.152 0.581 . . . . 0.0 111.66 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.9 mttp -111.58 134.65 53.0 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.554 174.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.414 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 21.5 m -84.36 144.69 9.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.068 -174.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.48 HD12 ' HB2' ' A' ' 35' ' ' ASN . 9.7 pt -141.67 155.21 20.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.258 0.551 . . . . 0.0 111.42 -174.376 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 16.4 p -93.44 144.96 24.86 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 174.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 -71.32 -2.6 16.85 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.937 0.399 . . . . 0.0 111.153 -176.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.7 tt0 -83.13 -25.79 31.58 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 172.624 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 2.7 m170 -95.22 -61.73 1.43 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.013 177.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.48 ' HB2' HD12 ' A' ' 30' ' ' ILE . 11.3 m120 -134.94 136.1 42.01 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.75 -0.659 . . . . 0.0 109.562 -177.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.1 tp -69.39 -30.34 45.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.664 -0.698 . . . . 0.0 112.784 -171.43 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.444 ' O ' HD11 ' A' ' 30' ' ' ILE . 31.4 t70 -164.96 -52.03 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 120.876 0.37 . . . . 0.0 111.273 -177.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 25.8 mmt -101.9 143.01 32.32 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.39 -0.596 . . . . 0.0 109.39 174.205 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.411 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 1.9 p -76.83 155.69 32.8 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.714 -0.476 . . . . 0.0 109.714 -176.475 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -64.44 -20.56 66.24 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.682 -175.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 25.8 t -75.94 -14.92 60.25 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.658 0.266 . . . . 0.0 110.727 179.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 90.0 m -104.88 -165.38 1.13 Allowed 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.922 -0.399 . . . . 0.0 109.922 176.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.3 p90 . . . . . 0 C--O 1.252 1.212 0 CA-C-O 118.349 -0.834 . . . . 0.0 111.195 -178.202 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 26.4 m . . . . . 0 N--CA 1.481 1.084 0 CA-C-O 120.579 0.228 . . . . 0.0 110.397 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.409 ' HG3' ' O ' ' A' ' 2' ' ' MET . 23.9 ptt? -78.52 110.17 13.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.272 0.558 . . . . 0.0 110.192 179.423 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.7 mmmm -87.29 76.84 9.08 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.122 -179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -67.84 -22.84 65.12 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.674 179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 92.7 mtt180 -84.38 48.75 1.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.631 178.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 61.8 m -106.1 -16.48 14.6 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 122.097 0.951 . . . . 0.0 109.006 173.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 76.1 m-85 -107.24 141.82 37.96 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 114.636 -1.165 . . . . 0.0 110.041 179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 15.9 t -53.26 124.77 15.52 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.419 -0.809 . . . . 0.0 111.788 -175.437 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.0 m -70.68 -27.43 64.01 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.244 -0.889 . . . . 0.0 111.61 -177.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.4 m-85 -77.77 -19.88 54.33 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.144 0.497 . . . . 0.0 110.526 177.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.3 m -88.6 139.48 29.71 Favored Pre-proline 0 C--N 1.324 -0.51 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.115 175.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 23.6 Cg_exo -62.66 141.21 84.81 Favored 'Trans proline' 0 C--O 1.234 0.301 0 C-N-CA 122.502 2.135 . . . . 0.0 111.282 175.053 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 m -60.55 -23.74 64.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.037 -0.529 . . . . 0.0 112.013 -175.835 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -75.2 -18.48 60.14 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.804 0.335 . . . . 0.0 111.246 177.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.3 mm -81.45 -32.3 11.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 177.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 54.26 52.97 11.64 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.483 0.658 . . . . 0.0 111.025 178.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.4 tpt85 -92.26 116.41 28.94 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.245 -0.889 . . . . 0.0 109.669 178.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.3 mptp? -59.51 142.08 53.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.444 179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.31 140.24 29.74 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.366 177.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -112.28 -12.48 13.58 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.322 -177.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.22 170.27 16.03 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.814 -0.63 . . . . 0.0 109.841 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.418 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 14.1 m -144.04 131.26 20.73 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-O 120.777 0.323 . . . . 0.0 110.639 -178.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.9 t -79.75 100.92 8.16 Favored 'General case' 0 C--N 1.322 -0.6 0 N-CA-C 109.576 -0.528 . . . . 0.0 109.576 176.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 58.7 tptt -56.66 -30.74 63.69 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.965 -174.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -69.04 -31.36 70.08 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 -174.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.1 p -125.92 -3.84 7.02 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.254 -0.578 . . . . 0.0 111.712 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.425 ' HB3' ' NZ ' ' A' ' 27' ' ' LYS . 3.9 mmmp? 66.65 28.59 9.12 Favored 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 123.108 0.563 . . . . 0.0 111.852 178.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 64.2 mttp -97.72 136.4 38.12 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 109.674 -0.491 . . . . 0.0 109.674 173.562 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.418 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 23.6 m -96.7 147.14 6.46 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.694 0 CA-C-O 120.954 0.407 . . . . 0.0 111.234 -175.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.494 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.5 pt -138.7 151.79 24.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.759 -172.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.1 p -91.86 168.54 11.36 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.481 -178.103 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.598 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 29.4 mmm180 -54.86 -36.43 65.08 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-O 120.775 0.321 . . . . 0.0 111.791 -179.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -75.61 -13.29 60.33 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.015 -177.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -126.79 13.69 7.43 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 111.938 0.347 . . . . 0.0 111.938 -175.238 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.598 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -109.45 140.8 42.74 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 113.793 1.035 . . . . 0.0 113.793 -174.015 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 32.2 pt -128.52 34.06 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.603 0 N-CA-C 107.123 -1.436 . . . . 0.0 107.123 163.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.4 t70 70.72 -51.03 0.67 Allowed 'General case' 0 N--CA 1.471 0.602 0 CA-C-N 113.698 -1.592 . . . . 0.0 110.222 -170.027 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 50.9 ttp -90.87 165.36 13.65 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.704 -1.221 . . . . 0.0 107.704 172.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.7 p -94.96 153.16 17.79 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 175.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 48.1 mt-30 -71.59 -8.35 53.45 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.294 -174.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 22.2 m -84.69 -15.16 46.24 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.764 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.1 m -105.46 2.24 28.4 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.067 0.461 . . . . 0.0 109.803 172.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 64.7 t80 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.504 -0.76 . . . . 0.0 110.16 -177.979 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.0 p . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 121.086 0.47 . . . . 0.0 110.538 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 22.0 ptp -98.61 -11.38 22.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.534 -177.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.85 155.7 18.02 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.517 -0.473 . . . . 0.0 110.182 178.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 73.8 mmtt 55.63 50.99 13.3 Favored 'General case' 0 CA--C 1.519 -0.235 0 CA-C-O 121.65 0.738 . . . . 0.0 110.414 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.53 ' HA ' ' NE ' ' A' ' 5' ' ' ARG . 3.3 mmp_? -121.17 64.91 0.87 Allowed 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.232 -0.895 . . . . 0.0 110.827 -178.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.4 m -85.94 -24.45 26.55 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.386 -0.825 . . . . 0.0 110.177 176.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -106.6 146.14 31.06 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.956 -175.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 8.2 t -55.49 125.06 19.34 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.274 -0.876 . . . . 0.0 111.659 -178.287 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 20.9 m -67.26 -23.31 65.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.362 -177.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -86.11 -18.46 32.3 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.785 178.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 12.7 m -84.5 133.55 44.24 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.721 175.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -57.85 143.79 95.02 Favored 'Trans proline' 0 N--CA 1.465 -0.198 0 C-N-CA 122.934 2.423 . . . . 0.0 111.391 176.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -65.19 -16.33 63.41 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -176.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -73.24 -15.66 61.42 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.184 0.516 . . . . 0.0 109.996 173.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.8 mt -117.78 88.04 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.575 -0.739 . . . . 0.0 109.371 177.644 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -72.18 75.8 0.97 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.19 -178.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 63.6 ttt180 -99.86 127.74 46.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.33 177.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -66.57 140.32 57.96 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.761 -174.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -83.25 102.72 12.12 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.59 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -81.39 7.01 12.72 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.312 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.54 169.51 24.5 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.965 0.412 . . . . 0.0 110.745 178.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.481 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 45.5 t -143.52 129.3 19.36 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.951 -0.568 . . . . 0.0 109.883 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.63 ' HA ' ' O ' ' A' ' 37' ' ' ASP . 51.1 t -75.41 115.61 15.25 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.04 -178.422 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.4 tptm -67.59 -28.04 67.43 Favored 'General case' 0 C--N 1.322 -0.589 0 N-CA-C 112.394 0.516 . . . . 0.0 112.394 -170.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.477 ' HD2' ' CE2' ' A' ' 43' ' ' PHE . 57.6 tttm -73.99 -36.29 64.5 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.885 -0.326 . . . . 0.0 111.846 -174.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.8 p -115.94 -7.58 11.97 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.504 -0.478 . . . . 0.0 111.527 -176.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 94.1 mttt 65.82 24.99 11.33 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.689 178.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -96.15 131.84 42.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.002 175.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.481 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 35.6 m -77.31 144.52 11.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.307 -178.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 17.4 pt -144.02 161.84 15.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.045 -175.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.9 p -97.21 143.57 27.87 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 172.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.468 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 74.3 mtm180 -73.31 -7.17 50.45 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.855 0.359 . . . . 0.0 111.067 -174.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -84.65 -13.02 52.75 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.066 0.46 . . . . 0.0 110.148 172.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -98.47 -57.49 2.19 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.857 -0.611 . . . . 0.0 109.518 172.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.468 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 9.3 m120 -141.48 140.25 33.5 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.891 -0.595 . . . . 0.0 109.925 -178.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.6 mm -86.27 86.81 2.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-O 120.749 0.309 . . . . 0.0 110.786 -177.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.63 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 14.8 m-20 71.55 -34.42 0.3 Allowed 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.697 175.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.442 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 94.3 mmm -116.73 129.82 56.35 Favored 'General case' 0 C--N 1.32 -0.701 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 177.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -81.61 150.9 27.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.262 0.553 . . . . 0.0 110.486 -173.72 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -60.85 -26.43 67.36 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 114.597 -1.183 . . . . 0.0 112.364 -172.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 33.2 t -69.58 -23.12 63.5 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.076 0.465 . . . . 0.0 110.721 179.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.424 ' SG ' ' HD3' ' A' ' 25' ' ' LYS . 94.3 m -98.34 -60.03 1.63 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.946 0.403 . . . . 0.0 110.606 178.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.477 ' CE2' ' HD2' ' A' ' 25' ' ' LYS . 97.8 m-85 . . . . . 0 C--O 1.25 1.107 0 CA-C-O 118.547 -0.74 . . . . 0.0 110.448 -176.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.402 HG22 ' HG2' ' A' ' 2' ' ' MET . 12.5 p . . . . . 0 N--CA 1.477 0.916 0 N-CA-C 110.205 -0.295 . . . . 0.0 110.205 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.402 ' HG2' HG22 ' A' ' 1' ' ' VAL . 94.4 mmm 57.06 40.98 28.12 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.997 -179.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm 60.48 87.21 0.09 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.434 -0.803 . . . . 0.0 111.129 -179.774 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.4 tptt -58.34 -30.06 66.42 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.55 -0.75 . . . . 0.0 111.096 -179.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 ptp180 -78.3 21.38 0.36 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.041 0.448 . . . . 0.0 111.657 -178.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.8 m -105.56 -17.23 14.48 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 122.011 0.91 . . . . 0.0 109.083 171.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -106.99 144.15 34.03 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 114.926 -1.034 . . . . 0.0 109.802 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.493 ' HB2' ' HB3' ' A' ' 31' ' ' CYS . 18.8 t -52.57 125.95 18.07 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.483 -0.78 . . . . 0.0 112.018 -176.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 18.0 m -68.09 -23.29 64.91 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 114.741 -1.118 . . . . 0.0 111.583 -178.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.618 ' CE2' ' HB2' ' A' ' 39' ' ' CYS . 29.5 m-85 -97.04 4.47 51.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.977 0.418 . . . . 0.0 111.377 -178.118 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.7 m -111.25 132.29 21.82 Favored Pre-proline 0 C--N 1.315 -0.915 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.318 176.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -58.42 149.02 77.15 Favored 'Trans proline' 0 C--O 1.235 0.368 0 C-N-CA 123.01 2.473 . . . . 0.0 112.306 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.0 m -68.01 -11.22 58.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.824 -0.626 . . . . 0.0 112.08 -176.287 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 33.1 mmtp -86.78 -13.72 44.35 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.028 0.442 . . . . 0.0 110.85 173.408 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.1 mm -97.47 -47.83 12.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.01 179.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 66.5 mtt180 53.19 77.11 0.18 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 115.73 -0.668 . . . . 0.0 112.589 176.068 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 32.0 mmm180 -97.57 120.67 38.36 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 173.26 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.06 128.72 38.23 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.455 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -76.63 107.24 8.79 Favored 'General case' 0 C--N 1.319 -0.738 0 CA-C-O 120.902 0.382 . . . . 0.0 111.173 -176.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.451 HD22 ' N ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER -90.86 -7.38 52.41 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.147 0.498 . . . . 0.0 110.341 179.02 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -137.61 169.05 18.44 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.657 -0.702 . . . . 0.0 109.737 -179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.9 p -147.16 149.03 32.18 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-O 121.119 0.485 . . . . 0.0 111.076 -179.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.412 ' SG ' ' HA ' ' A' ' 38' ' ' MET . 44.0 t -86.35 95.59 9.7 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.013 -0.736 . . . . 0.0 109.013 174.14 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 24' ' ' LYS . 0.9 OUTLIER -61.17 -22.43 64.71 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.837 0.351 . . . . 0.0 111.074 -175.895 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.5 tptt -62.49 -38.58 90.42 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.749 -178.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.3 p -128.18 -2.89 5.69 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.813 -0.355 . . . . 0.0 111.659 -177.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 47.2 mmtm 68.81 34.8 3.18 Favored 'General case' 0 N--CA 1.468 0.428 0 C-N-CA 123.569 0.748 . . . . 0.0 112.187 178.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.5 mmtp -104.71 133.92 48.74 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 172.832 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.455 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 26.7 m -86.8 148.42 4.66 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 112.037 0.384 . . . . 0.0 112.037 -173.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 8.7 pt -140.05 158.29 26.06 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.362 0 CA-C-O 121.25 0.548 . . . . 0.0 111.272 -176.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.494 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 24.3 p -90.37 173.92 7.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.9 -175.728 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.585 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 27.5 mtm180 -69.78 -16.72 63.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.045 0.45 . . . . 0.0 110.941 178.408 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.494 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 14.0 mp0 -85.67 -10.61 55.46 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.888 176.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -134.16 28.15 3.79 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.547 -177.673 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.585 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -91.19 111.5 23.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 122.02 0.915 . . . . 0.0 112.869 -174.274 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.58 ' HB ' ' O ' ' A' ' 38' ' ' MET . 13.8 mt -113.3 3.54 8.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.83 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 168.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.47 22.33 7.91 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 122.559 1.171 . . . . 0.0 108.994 -164.317 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.58 ' O ' ' HB ' ' A' ' 36' ' ' ILE . 51.5 ttm -168.15 142.03 3.33 Favored 'General case' 0 N--CA 1.44 -0.971 0 CA-C-N 113.113 -1.858 . . . . 0.0 106.705 -177.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.618 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 7.5 p -87.87 157.31 19.02 Favored 'General case' 0 C--N 1.311 -1.075 0 N-CA-C 109.616 -0.513 . . . . 0.0 109.616 -175.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -66.81 -13.1 61.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.631 -0.713 . . . . 0.0 112.01 -173.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 61.7 m -80.27 -29.88 38.33 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.545 0.212 . . . . 0.0 110.866 176.462 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 73.5 m -91.43 -19.93 22.33 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.016 0.436 . . . . 0.0 110.078 176.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 60.2 t80 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.8 -0.619 . . . . 0.0 110.435 -178.225 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 120.936 0.398 . . . . 0.0 111.366 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 27.7 ttt -137.05 81.85 1.9 Allowed 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 178.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.413 ' HB3' ' OG1' ' A' ' 6' ' ' THR . 60.3 mttp -83.21 67.63 9.28 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.559 -174.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 55.6 tptt -79.6 -38.73 33.29 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.796 177.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -93.53 41.78 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.368 179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.413 ' OG1' ' HB3' ' A' ' 3' ' ' LYS . 51.6 m -116.42 -21.15 9.38 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.312 173.197 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -106.35 145.89 31.13 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.202 175.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.438 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 35.9 t -52.86 123.95 12.79 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 123.732 0.645 . . . . 0.0 111.818 -174.391 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 40.3 m -68.97 -31.57 70.53 Favored 'General case' 0 N--CA 1.451 -0.383 0 CA-C-N 115.336 -0.847 . . . . 0.0 110.766 179.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.0 m-85 -72.23 -26.12 61.9 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.889 178.123 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.438 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 23.2 m -90.29 138.38 27.19 Favored Pre-proline 0 C--N 1.323 -0.55 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.118 176.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -58.74 138.55 86.37 Favored 'Trans proline' 0 N--CA 1.46 -0.491 0 C-N-CA 122.222 1.948 . . . . 0.0 110.29 172.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.9 m -61.47 -20.76 63.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.724 -174.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm -72.49 -17.12 61.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.388 177.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 39.9 mm -80.66 -21.78 11.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.158 0.504 . . . . 0.0 110.931 -178.358 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 20.7 mmm180 62.51 33.5 15.96 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.281 -0.872 . . . . 0.0 111.211 176.644 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -85.16 116.35 23.47 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.242 -175.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -71.5 145.59 49.07 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.445 -178.081 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -106.27 117.8 34.97 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.24 -178.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 50.7 m-80 -109.48 17.24 21.62 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.011 176.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -141.14 164.35 30.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.615 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.437 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 12.8 p -154.24 132.88 12.15 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.518 0.199 . . . . 0.0 111.304 -177.52 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.592 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 43.3 t -75.97 117.95 18.23 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 176.663 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 54.4 tptt -70.83 -19.02 62.7 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.951 0.405 . . . . 0.0 110.866 -178.109 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -99.45 15.15 27.35 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.758 0.313 . . . . 0.0 111.515 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 91.6 m -142.81 -22.72 0.65 Allowed 'General case' 0 N--CA 1.467 0.4 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.889 174.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt 65.2 20.23 11.9 Favored 'General case' 0 C--O 1.232 0.154 0 C-N-CA 123.112 0.565 . . . . 0.0 110.152 -174.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.6 mmtp -103.98 141.32 36.39 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.228 178.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.437 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 27.7 m -91.35 144.47 9.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-O 121.114 0.483 . . . . 0.0 111.242 -175.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.45 HD12 ' HB3' ' A' ' 35' ' ' ASN . 13.8 pt -136.05 156.23 36.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.299 -178.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.446 ' SG ' ' HB2' ' A' ' 34' ' ' HIS . 18.9 p -86.29 145.75 26.8 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 179.06 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.524 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 84.1 mtm180 -66.35 -15.52 63.33 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.827 -177.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -77.61 -21.05 52.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.914 -0.585 . . . . 0.0 109.811 175.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.446 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 0.2 OUTLIER -93.02 -45.1 8.08 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.903 -0.589 . . . . 0.0 109.698 176.211 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.524 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 15.5 t-20 -166.92 155.74 10.32 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 109.055 -0.72 . . . . 0.0 109.055 173.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 11.1 tp -78.55 -20.67 13.15 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 115.803 -0.635 . . . . 0.0 112.227 -172.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -168.57 -46.57 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.914 0.709 . . . . 0.0 112.914 -175.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 65.1 mtt -95.41 156.8 16.17 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.987 0.422 . . . . 0.0 111.618 -172.153 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.592 ' HB3' ' HB2' ' A' ' 23' ' ' CYS . 0.1 OUTLIER -123.26 137.29 54.9 Favored 'General case' 0 C--N 1.321 -0.631 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 177.192 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -90.91 26.96 1.94 Allowed 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.751 -173.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 18.6 m -119.37 43.26 2.65 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-O 120.922 0.392 . . . . 0.0 110.556 178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.8 p -157.82 -88.66 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.367 177.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.545 -0.741 . . . . 0.0 109.322 -179.43 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.478 0.97 0 CA-C-O 121.062 0.458 . . . . 0.0 110.067 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 61.3 mtt -123.77 87.34 2.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.353 -177.373 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -123.95 119.87 30.83 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.742 179.407 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -108.23 -7.41 15.99 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.291 176.526 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 47.6 mtm180 -116.41 45.33 1.81 Allowed 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.985 -0.552 . . . . 0.0 111.448 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.1 m -95.36 -25.68 16.2 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 121.422 0.629 . . . . 0.0 110.457 175.607 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 84.7 m-85 -109.56 143.42 39.25 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 115.855 -0.612 . . . . 0.0 110.847 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 18.8 t -56.17 128.66 36.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 114.91 -1.041 . . . . 0.0 111.554 -175.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.5 m -69.27 -26.0 64.54 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.346 -178.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.3 m-85 -88.7 -16.61 31.86 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.962 0.411 . . . . 0.0 111.242 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.463 ' SG ' ' HD3' ' A' ' 17' ' ' ARG . 12.9 m -84.77 126.5 68.24 Favored Pre-proline 0 C--N 1.322 -0.599 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 174.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.433 ' HB2' HG12 ' A' ' 15' ' ' ILE . 51.6 Cg_exo -52.91 143.87 47.19 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 123.018 2.479 . . . . 0.0 112.029 -178.23 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.4 m -63.54 -20.62 65.77 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.76 -0.655 . . . . 0.0 112.213 -173.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? -90.03 -0.09 57.4 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.932 0.396 . . . . 0.0 111.018 177.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.433 HG12 ' HB2' ' A' ' 12' ' ' PRO . 46.4 mm -97.35 -42.81 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.106 -0.497 . . . . 0.0 109.704 174.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.3 mtp180 56.56 73.11 0.46 Allowed 'General case' 0 C--O 1.235 0.311 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.245 177.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.463 ' HD3' ' SG ' ' A' ' 11' ' ' CYS . 74.3 ttt180 -111.1 127.46 55.57 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.989 -0.55 . . . . 0.0 109.997 178.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -57.38 140.5 50.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.078 -178.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.36 141.07 28.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.508 177.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -116.13 -7.42 11.87 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.573 -175.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.71 179.74 8.35 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 116.038 -0.528 . . . . 0.0 109.796 -178.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.442 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 23.2 t -152.93 143.67 22.82 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.716 0.293 . . . . 0.0 110.263 -179.612 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.444 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 49.9 t -76.9 111.16 12.14 Favored 'General case' 0 N--CA 1.448 -0.568 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 173.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 tptp -66.26 -16.6 64.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.396 0.617 . . . . 0.0 110.616 -174.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.4 mttm -82.88 -37.88 23.69 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.48 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 3.9 m -121.9 1.73 9.9 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 112.821 0.675 . . . . 0.0 112.821 -169.188 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp 68.99 1.44 3.17 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 175.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -76.12 128.22 34.54 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 110.369 -0.234 . . . . 0.0 110.369 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.442 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 28.1 m -89.34 142.59 12.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-O 121.082 0.468 . . . . 0.0 110.837 179.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.527 HD12 ' HA ' ' A' ' 35' ' ' ASN . 1.8 pt -138.67 152.51 24.84 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.431 -171.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 24.7 p -88.0 166.68 14.3 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.94 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 18.2 mmm180 -66.19 -5.58 10.67 Favored 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 112.1 0.407 . . . . 0.0 112.1 -177.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -98.29 -22.88 15.89 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-O 120.911 0.386 . . . . 0.0 110.344 177.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -114.28 6.99 16.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.369 -175.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.527 ' HA ' HD12 ' A' ' 30' ' ' ILE . 23.6 p-10 -99.83 134.3 42.93 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.708 0.765 . . . . 0.0 111.762 -175.871 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 17.7 pt -123.93 34.63 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 114.937 -1.028 . . . . 0.0 108.715 171.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 62.85 17.42 9.93 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 114.341 -1.3 . . . . 0.0 110.758 -173.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 23.7 ptp -173.63 177.58 2.48 Favored 'General case' 0 C--N 1.317 -0.822 0 N-CA-C 106.588 -1.634 . . . . 0.0 106.588 177.131 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.444 ' HB3' ' HB2' ' A' ' 23' ' ' CYS . 6.6 p -106.47 146.07 31.01 Favored 'General case' 0 C--N 1.314 -0.953 0 C-N-CA 120.032 -0.667 . . . . 0.0 110.319 -177.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -67.5 -10.31 50.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.705 -0.68 . . . . 0.0 112.075 -173.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 t -70.99 -19.73 62.49 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.051 0.453 . . . . 0.0 110.375 178.206 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.5 p -119.68 8.35 11.2 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.654 179.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 69.6 t80 . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.457 -0.782 . . . . 0.0 109.896 179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 120.844 0.354 . . . . 0.0 110.437 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 86.3 mtp -94.65 151.58 19.19 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.231 179.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm 62.66 78.61 0.29 Allowed 'General case' 0 N--CA 1.466 0.351 0 CA-C-O 121.446 0.641 . . . . 0.0 111.679 178.19 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.421 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 3.9 mppt? -75.59 -21.77 57.52 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.502 179.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 94.7 mtt180 -77.04 11.66 1.71 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.538 177.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 55.8 m -103.38 -16.12 15.72 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.551 0.691 . . . . 0.0 109.79 174.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -117.98 139.53 51.04 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.62 -0.718 . . . . 0.0 110.742 -175.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.419 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 12.5 t -54.95 120.62 7.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.723 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 11.1 m -60.11 -27.81 67.34 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.049 -0.978 . . . . 0.0 111.66 -177.674 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -87.44 -16.23 35.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.422 -179.175 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.419 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 6.8 m -87.71 142.75 32.87 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.211 177.352 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 20.6 Cg_exo -64.0 135.35 47.26 Favored 'Trans proline' 0 N--CA 1.459 -0.501 0 C-N-CA 122.192 1.928 . . . . 0.0 110.917 174.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.7 m -61.73 -21.74 64.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.244 -178.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 49.1 mmtm -63.24 -28.74 70.24 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 121.082 0.468 . . . . 0.0 110.572 174.356 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.1 mm -78.96 -29.78 14.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.536 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 71.9 mtm180 58.11 41.74 23.43 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 115.282 -0.872 . . . . 0.0 110.79 -177.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -80.4 109.79 15.22 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.393 -177.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.7 mppt? -65.82 136.32 56.03 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.05 177.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.71 128.63 35.62 Favored 'General case' 0 C--N 1.318 -0.765 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.054 -177.25 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -103.55 0.55 31.06 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.247 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -133.67 165.07 25.78 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.204 -179.6 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.434 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 33.5 p -147.41 135.42 21.34 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.763 0.316 . . . . 0.0 111.475 -177.046 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 48.4 t -84.59 99.33 10.7 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 175.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.5 tptt -55.85 -31.01 62.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.882 -0.599 . . . . 0.0 112.485 -169.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -62.78 -47.67 82.48 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 111.729 0.27 . . . . 0.0 111.729 -176.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.5 p -104.56 -8.11 19.24 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.916 -0.314 . . . . 0.0 111.351 -176.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm 70.09 14.99 7.72 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.044 178.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -87.21 135.79 33.17 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 177.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.434 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 31.0 m -88.24 148.11 4.78 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.992 -176.626 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 5.2 pt -145.63 162.25 11.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.668 -174.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.4 p -97.81 144.8 27.03 Favored 'General case' 0 C--N 1.32 -0.709 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 175.153 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -67.15 -14.21 62.69 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.028 0.442 . . . . 0.0 110.86 -178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -72.67 -20.41 61.25 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.663 174.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 3.5 m170 -105.28 -58.91 1.83 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.611 177.293 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.459 ' HB3' ' O ' ' A' ' 38' ' ' MET . 15.3 m120 -145.78 138.79 25.97 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.422 -175.272 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.3 tt -89.66 79.53 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.767 0.794 . . . . 0.0 111.029 -177.37 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 61.37 17.16 8.08 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 115.245 -0.889 . . . . 0.0 112.389 176.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.459 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 22.5 ptm -146.01 115.64 7.22 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 177.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -89.1 168.08 12.61 Favored 'General case' 0 C--N 1.322 -0.611 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 -177.556 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.1 mt-30 -81.5 -1.39 45.85 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.998 -172.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.8 t -103.65 10.71 36.73 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.013 0.435 . . . . 0.0 110.824 -179.361 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 74.4 m -134.92 172.67 12.67 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.435 179.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 42.0 m-85 . . . . . 0 C--O 1.249 1.069 0 O-C-N 124.293 0.996 . . . . 0.0 111.362 174.069 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 N--CA 1.48 1.068 0 N-CA-C 110.321 -0.251 . . . . 0.0 110.321 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -143.11 85.82 1.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 109.446 -0.575 . . . . 0.0 109.446 178.313 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -111.58 18.94 18.6 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.193 179.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 96.0 mttt -69.2 -31.15 69.55 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.595 -0.729 . . . . 0.0 111.044 -175.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 -104.08 17.49 24.0 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.42 0.629 . . . . 0.0 110.196 175.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 86.2 m -103.24 -43.86 5.34 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.453 -0.794 . . . . 0.0 110.207 176.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.5 m-85 -101.19 142.19 32.99 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.545 -0.752 . . . . 0.0 110.488 -179.077 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 24.0 t -47.89 123.23 5.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.133 -0.94 . . . . 0.0 111.889 -178.622 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 27.2 m -70.16 -19.79 63.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.106 -178.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -86.41 -25.49 25.25 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.214 179.085 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 12' ' ' PRO . 7.4 m -79.02 140.83 57.91 Favored Pre-proline 0 C--N 1.324 -0.514 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.539 178.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 11' ' ' CYS . 38.6 Cg_exo -60.79 148.59 91.54 Favored 'Trans proline' 0 C--N 1.342 0.235 0 C-N-CA 122.66 2.24 . . . . 0.0 111.118 174.389 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.5 m -62.87 -22.07 66.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 112.079 -174.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt -77.07 -20.28 56.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.981 0.42 . . . . 0.0 110.605 175.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.5 mt -107.16 77.47 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.609 0.719 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -72.27 97.72 2.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.297 -0.865 . . . . 0.0 111.454 -176.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -116.47 127.13 54.29 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.02 175.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -63.86 131.81 48.88 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.054 178.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -81.91 107.18 14.42 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.064 -178.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -95.55 24.64 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.119 0.485 . . . . 0.0 110.368 177.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.24 158.69 36.62 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.305 -0.861 . . . . 0.0 108.975 174.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.2 m -155.98 136.98 13.61 Favored 'General case' 0 C--N 1.322 -0.615 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -177.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.406 ' HB2' ' HB3' ' A' ' 39' ' ' CYS . 4.0 t -76.93 119.84 21.22 Favored 'General case' 0 N--CA 1.449 -0.481 0 N-CA-C 109.01 -0.737 . . . . 0.0 109.01 177.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.9 mttp -72.91 -28.36 62.42 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.016 -0.538 . . . . 0.0 112.296 -168.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.8 tptp -88.01 -36.43 17.03 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.657 0.265 . . . . 0.0 111.354 -179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 11.4 m -95.1 -15.48 23.35 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -175.189 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm 65.65 23.89 11.63 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.842 0.457 . . . . 0.0 112.022 177.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -98.73 131.86 44.55 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 175.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 35.1 m -92.04 140.95 15.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.971 0.415 . . . . 0.0 110.579 -177.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.538 HD12 ' HA ' ' A' ' 35' ' ' ASN . 4.6 pt -137.68 147.94 25.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.026 -173.624 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.549 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 21.2 p -81.89 163.56 22.18 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 178.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 22.7 mmm180 -57.22 -36.9 71.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.882 0.373 . . . . 0.0 110.661 -176.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.9 tt0 -67.34 -25.08 65.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.268 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.4 m170 -112.67 20.63 16.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.821 0.343 . . . . 0.0 110.324 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.549 ' HB3' ' O ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -115.08 140.72 48.83 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.788 0.662 . . . . 0.0 112.788 -170.715 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 26.6 pt -131.39 28.96 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 N-CA-C 107.444 -1.317 . . . . 0.0 107.444 164.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.1 t70 72.4 -42.04 0.52 Allowed 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 114.121 -1.4 . . . . 0.0 110.214 -168.043 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 62.5 mtm -95.09 170.33 9.49 Favored 'General case' 0 C--N 1.319 -0.758 0 N-CA-C 108.611 -0.885 . . . . 0.0 108.611 172.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.406 ' HB3' ' HB2' ' A' ' 23' ' ' CYS . 11.5 p -104.38 146.44 28.83 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-O 120.998 0.428 . . . . 0.0 109.892 178.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.8 mt-30 -62.64 -19.57 63.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.827 -175.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 t -66.15 -19.39 65.82 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.901 -178.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 27.1 p -118.76 15.8 13.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.827 0.346 . . . . 0.0 111.037 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 72.6 t80 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.74 -0.647 . . . . 0.0 110.352 -179.709 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 43.8 t . . . . . 0 N--CA 1.48 1.039 0 CA-C-O 120.677 0.275 . . . . 0.0 110.591 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 22.1 ptm -133.66 120.53 20.77 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 120.854 0.359 . . . . 0.0 111.563 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt 59.74 28.57 18.05 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.572 -0.74 . . . . 0.0 112.493 174.645 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 71.6 mmtt -101.65 -22.53 14.43 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.276 0.56 . . . . 0.0 109.95 177.078 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 62.1 mtm180 -101.16 18.93 18.57 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.365 178.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 25.0 m -87.92 -16.73 33.06 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.3 -0.864 . . . . 0.0 108.788 171.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.2 m-85 -117.62 147.32 42.97 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 114.736 -1.12 . . . . 0.0 110.38 -177.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 11.8 t -57.68 125.21 21.97 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.466 -178.136 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 7.2 m -66.24 -29.59 69.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.079 -178.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 8.6 m-85 -79.97 -21.31 43.87 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.7 m -83.61 128.99 61.57 Favored Pre-proline 0 C--N 1.324 -0.527 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 174.592 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 35.4 Cg_exo -57.85 152.72 48.3 Favored 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.825 2.35 . . . . 0.0 112.498 -177.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.8 t -53.57 -44.68 69.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 111.463 0.171 . . . . 0.0 111.463 -175.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -67.37 -16.29 64.16 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.973 0.416 . . . . 0.0 111.138 -179.1 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 30.6 mm -101.48 71.93 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 176.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.587 ' H ' ' HD2' ' A' ' 16' ' ' ARG . 0.3 OUTLIER -61.93 92.49 0.04 OUTLIER 'General case' 0 CA--C 1.534 0.338 0 CA-C-O 122.01 0.909 . . . . 0.0 111.081 -178.212 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -119.85 116.64 26.27 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-N 115.336 -0.847 . . . . 0.0 109.189 -178.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -62.03 140.51 58.36 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.804 -176.678 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.14 125.95 33.22 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.024 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 77.3 m-20 -111.43 11.78 21.47 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.121 177.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.23 167.44 28.59 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.285 -0.871 . . . . 0.0 109.692 179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.421 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 47.1 p -157.16 131.38 8.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.984 0.421 . . . . 0.0 111.133 -177.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.9 t -84.1 96.92 9.07 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 178.17 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.05 -36.9 61.11 Favored 'General case' 0 N--CA 1.467 0.393 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -170.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' HD2' ' HA ' ' A' ' 43' ' ' PHE . 67.4 mttm -63.33 -34.43 77.68 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.322 0.489 . . . . 0.0 112.322 -174.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 24.8 p -111.04 -5.92 14.72 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.641 -0.424 . . . . 0.0 110.954 178.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt 67.21 17.77 10.32 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.043 178.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -89.66 125.37 35.23 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.05 0.453 . . . . 0.0 110.432 178.632 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.421 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 35.6 m -81.57 145.2 9.14 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.514 -179.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.3 pt -142.9 167.69 14.08 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-O 121.173 0.511 . . . . 0.0 110.913 -175.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.9 p -99.21 146.48 26.13 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 176.566 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.611 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 50.4 mtm180 -69.54 -4.88 20.89 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.937 -177.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -84.57 -25.84 28.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.025 -0.534 . . . . 0.0 109.796 174.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.4 m170 -89.39 -35.33 16.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.212 178.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.611 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 23.4 t-20 -171.52 159.76 5.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.978 -0.556 . . . . 0.0 109.562 172.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.7 tp -60.39 -52.4 61.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -177.138 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -172.28 32.85 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 121.633 0.73 . . . . 0.0 110.685 -178.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 54.9 mtt -143.43 147.29 34.37 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -178.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.444 ' SG ' ' N ' ' A' ' 42' ' ' CYS . 6.1 p -97.26 173.45 7.21 Favored 'General case' 0 C--N 1.32 -0.675 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.202 177.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 -91.58 -22.65 20.21 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-O 121.185 0.517 . . . . 0.0 109.853 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.9 m -76.23 -24.21 54.58 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.765 -0.652 . . . . 0.0 111.458 -177.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.444 ' N ' ' SG ' ' A' ' 39' ' ' CYS . 0.5 OUTLIER -159.23 174.79 14.28 Favored 'General case' 0 C--N 1.329 -0.291 0 N-CA-C 109.794 -0.447 . . . . 0.0 109.794 179.393 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.439 ' HA ' ' HD2' ' A' ' 25' ' ' LYS . 1.2 t80 . . . . . 0 C--O 1.247 0.944 0 CA-C-O 118.161 -0.924 . . . . 0.0 109.921 -178.11 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 39.9 t . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 120.868 0.366 . . . . 0.0 110.216 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 34.3 tpp -78.78 127.87 32.63 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.77 0.319 . . . . 0.0 110.497 177.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -96.9 69.65 2.41 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.303 0.573 . . . . 0.0 110.283 177.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.1 tptt -130.37 29.49 4.85 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.9 0.857 . . . . 0.0 109.342 177.302 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -80.36 54.24 1.97 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.91 -176.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.1 m -97.7 -23.13 16.08 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.611 0.72 . . . . 0.0 109.564 175.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 98.7 m-85 -102.85 141.62 35.35 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 115.11 -0.95 . . . . 0.0 110.532 -176.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 35.2 t -55.72 124.24 16.81 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.299 -0.864 . . . . 0.0 111.772 -176.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 44.0 m -66.8 -30.44 70.64 Favored 'General case' 0 CA--C 1.533 0.3 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.291 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -81.01 -22.87 39.06 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.428 -178.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.521 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 12.2 m -79.95 132.63 59.93 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 109.749 -0.463 . . . . 0.0 109.749 175.478 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -52.39 145.43 36.39 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 122.812 2.341 . . . . 0.0 111.55 177.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.6 m -65.62 -11.98 49.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.475 -176.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 58.8 mttp -79.09 -18.29 53.6 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 175.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 43.0 mm -84.65 -50.15 15.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.82 -176.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 89.0 mtm180 55.16 66.07 1.33 Allowed 'General case' 0 N--CA 1.466 0.359 0 CA-C-O 120.896 0.379 . . . . 0.0 111.903 179.39 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.521 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 7.5 ptp180 -119.51 142.61 48.15 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 174.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 4.0 mppt? -75.03 142.27 43.81 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.285 -171.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -88.18 134.47 33.77 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.058 -179.174 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -112.92 24.67 12.15 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.879 0.847 . . . . 0.0 109.509 176.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.82 160.06 38.83 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.022 -0.99 . . . . 0.0 109.416 176.116 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.446 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 44.7 p -146.53 131.65 18.34 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-O 120.845 0.355 . . . . 0.0 110.553 179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.7 t -80.59 91.22 5.78 Favored 'General case' 0 C--N 1.32 -0.705 0 N-CA-C 109.205 -0.665 . . . . 0.0 109.205 176.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 59.7 tptt -55.99 -28.72 58.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.089 -177.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 56.9 tptt -54.11 -40.38 67.25 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.436 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 29.3 p -126.14 2.68 7.17 Favored 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 120.902 -0.319 . . . . 0.0 111.837 -177.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 37.3 mtmm 65.01 36.32 7.52 Favored 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 123.03 0.532 . . . . 0.0 112.112 176.704 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.9 mmtm -116.0 135.25 54.14 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 109.956 -0.387 . . . . 0.0 109.956 177.356 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.446 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 32.2 m -88.8 142.15 13.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.164 0.507 . . . . 0.0 111.574 -173.445 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 35' ' ' ASN . 9.4 pt -138.6 149.86 23.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.812 -175.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 21.8 p -80.84 162.3 24.06 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 178.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -58.67 -36.18 73.76 Favored 'General case' 0 C--N 1.322 -0.619 0 CA-C-N 118.156 0.435 . . . . 0.0 111.307 -174.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -69.95 -22.48 63.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.082 0.468 . . . . 0.0 110.754 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 26.9 m170 -106.29 16.12 25.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.054 0.454 . . . . 0.0 109.904 177.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.481 ' HA ' HD12 ' A' ' 30' ' ' ILE . 8.9 t30 -114.94 119.82 37.83 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.489 -177.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 21.1 pt -111.55 37.4 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 169.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.466 ' H ' ' ND2' ' A' ' 35' ' ' ASN . 23.6 m-20 59.77 33.24 21.72 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 114.709 -1.132 . . . . 0.0 109.757 -170.249 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.494 ' SD ' ' HB2' ' A' ' 42' ' ' CYS . 52.6 tpp 172.05 151.53 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 114.537 -1.21 . . . . 0.0 107.837 -172.278 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -88.15 152.9 21.66 Favored 'General case' 0 C--N 1.322 -0.598 0 N-CA-C 108.797 -0.816 . . . . 0.0 108.797 174.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -62.51 -18.12 61.25 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.207 -0.906 . . . . 0.0 112.105 -171.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 46.8 t -85.46 -18.78 32.57 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 111.682 0.253 . . . . 0.0 111.682 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.494 ' HB2' ' SD ' ' A' ' 38' ' ' MET . 94.7 m -101.89 -18.89 15.51 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.522 -0.471 . . . . 0.0 111.225 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 48.4 t80 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.455 -0.783 . . . . 0.0 110.297 -178.223 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 47.2 t . . . . . 0 N--CA 1.481 1.102 0 CA-C-O 120.816 0.341 . . . . 0.0 110.245 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -100.88 137.66 38.96 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 178.149 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.406 ' HD3' ' N ' ' A' ' 3' ' ' LYS . 0.0 OUTLIER -158.5 129.89 6.5 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.177 0.513 . . . . 0.0 110.896 -178.753 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -87.45 -11.39 49.19 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.561 175.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -78.83 37.09 0.29 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.261 -0.881 . . . . 0.0 111.427 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 76.6 m -119.89 -19.64 7.84 Favored 'General case' 0 C--N 1.316 -0.879 0 CA-C-N 115.447 -0.797 . . . . 0.0 108.887 172.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -115.48 137.66 51.83 Favored 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 114.852 -1.067 . . . . 0.0 110.224 -177.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.5 t -52.1 119.8 4.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.214 -0.903 . . . . 0.0 111.755 -175.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 42.9 m -65.72 -27.21 68.15 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.936 179.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -78.72 -23.97 45.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.98 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.546 ' SG ' ' HD3' ' A' ' 17' ' ' ARG . 13.3 m -80.94 144.39 55.13 Favored Pre-proline 0 C--N 1.325 -0.488 0 N-CA-C 109.619 -0.512 . . . . 0.0 109.619 174.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.449 ' HB2' HG12 ' A' ' 15' ' ' ILE . 33.5 Cg_exo -58.1 134.13 59.99 Favored 'Trans proline' 0 C--O 1.235 0.374 0 C-N-CA 122.268 1.979 . . . . 0.0 111.306 178.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.8 m -58.47 -27.06 64.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.838 -0.619 . . . . 0.0 112.61 -171.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.3 pttp -79.83 -13.13 59.63 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.802 -0.359 . . . . 0.0 111.298 -179.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.449 HG12 ' HB2' ' A' ' 12' ' ' PRO . 44.2 mm -86.77 -39.87 13.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.398 179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 86.3 mtm180 53.1 75.51 0.24 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.075 -0.511 . . . . 0.0 112.336 178.084 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.546 ' HD3' ' SG ' ' A' ' 11' ' ' CYS . 66.5 mtp180 -100.17 132.27 45.64 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.183 -0.673 . . . . 0.0 109.183 172.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -64.15 127.96 33.71 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 120.988 0.423 . . . . 0.0 110.375 -176.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -91.77 116.5 28.95 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.924 -179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -103.9 26.09 9.1 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.48 0.657 . . . . 0.0 109.928 178.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.408 ' HB3' HG13 ' A' ' 30' ' ' ILE . . . -149.7 154.77 39.08 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.205 -0.907 . . . . 0.0 109.787 177.696 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 5.9 p -145.92 128.1 15.71 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 121.055 0.455 . . . . 0.0 110.688 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 52.2 t -74.85 113.44 12.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.737 179.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -65.45 -24.94 67.3 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.698 -0.683 . . . . 0.0 112.745 -169.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.62 ' HE2' ' SG ' ' A' ' 42' ' ' CYS . 19.2 ttpt -77.82 -39.89 42.23 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.371 -0.532 . . . . 0.0 111.541 -175.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.7 p -112.29 -8.07 13.96 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.365 -0.534 . . . . 0.0 112.181 -173.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp 66.09 32.31 8.31 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.686 177.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -104.35 138.49 40.7 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 174.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.0 m -89.78 144.79 8.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.305 0.574 . . . . 0.0 111.549 -175.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.408 HG13 ' HB3' ' A' ' 21' ' ' ALA . 8.9 pt -139.6 154.29 24.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.703 -0.681 . . . . 0.0 110.861 -175.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.544 ' SG ' ' HB2' ' A' ' 34' ' ' HIS . 17.7 p -90.57 150.95 21.53 Favored 'General case' 0 C--O 1.237 0.418 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 177.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 17.1 mmm180 -66.36 -21.32 66.24 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.48 -171.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -86.46 -7.82 58.11 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.37 178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.576 ' C ' HD22 ' A' ' 35' ' ' ASN . 0.0 OUTLIER -99.21 -61.02 1.42 Allowed 'General case' 0 C--N 1.327 -0.391 0 C-N-CA 120.661 -0.416 . . . . 0.0 110.805 178.194 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.576 HD22 ' C ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -132.25 152.52 51.31 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.658 -173.31 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 5.9 tp -94.6 79.56 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.514 0.673 . . . . 0.0 111.085 -177.717 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 71.28 -51.75 0.69 Allowed 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 115.171 -0.922 . . . . 0.0 112.437 176.268 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 19.5 mmt -97.34 139.13 33.75 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.584 -0.524 . . . . 0.0 109.584 176.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.527 ' SG ' ' HB2' ' A' ' 41' ' ' SER . 0.5 OUTLIER -86.69 146.06 26.44 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 120.93 0.395 . . . . 0.0 110.22 -175.699 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -64.8 -18.74 65.36 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.281 -0.872 . . . . 0.0 112.125 -176.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.527 ' HB2' ' SG ' ' A' ' 39' ' ' CYS . 49.3 m -66.74 -24.22 66.2 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.932 0.396 . . . . 0.0 110.118 174.669 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.62 ' SG ' ' HE2' ' A' ' 25' ' ' LYS . 71.7 m -103.51 -68.35 0.84 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.833 177.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 99.9 m-85 . . . . . 0 C--O 1.246 0.875 0 CA-C-O 118.632 -0.699 . . . . 0.0 110.784 -173.904 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.7 p . . . . . 0 N--CA 1.478 0.944 0 CA-C-O 122.132 0.968 . . . . 0.0 110.347 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . 0.472 ' O ' ' HB2' ' A' ' 3' ' ' LYS . 25.5 ptt? -156.47 29.33 0.33 Allowed 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.564 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.472 ' HB2' ' O ' ' A' ' 2' ' ' MET . 14.3 mptt 69.39 122.13 0.03 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 115.4 -0.818 . . . . 0.0 110.147 -171.682 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.442 ' N ' ' HD3' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -76.15 -15.77 60.0 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.881 -0.599 . . . . 0.0 110.079 -179.324 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 38.2 mmt180 -83.65 39.18 0.66 Allowed 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.52 177.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.4 m -104.03 -6.06 21.54 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 122.178 0.99 . . . . 0.0 108.99 173.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -113.91 138.34 50.45 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 114.579 -1.191 . . . . 0.0 110.026 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.43 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 17.9 t -54.53 121.34 8.18 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.175 -0.92 . . . . 0.0 111.454 -175.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 37.0 m -63.71 -27.48 69.23 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.303 -0.862 . . . . 0.0 111.271 -178.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 39' ' ' CYS . 13.1 m-85 -85.57 -13.95 47.28 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.511 179.687 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.43 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 9.5 m -93.39 138.7 22.93 Favored Pre-proline 0 C--N 1.322 -0.627 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 174.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.469 ' HB2' HG12 ' A' ' 15' ' ' ILE . 24.2 Cg_exo -59.86 132.4 44.85 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.058 1.839 . . . . 0.0 110.54 175.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 21.4 m -60.1 -23.29 63.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 112.137 -174.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 47.4 mmtm -71.2 -19.16 62.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.804 0.335 . . . . 0.0 111.125 177.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.469 HG12 ' HB2' ' A' ' 12' ' ' PRO . 48.3 mm -81.68 -20.49 10.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.386 0.613 . . . . 0.0 110.598 179.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 36.7 mtm180 58.47 35.06 24.45 Favored 'General case' 0 N--CA 1.468 0.453 0 CA-C-N 114.977 -1.01 . . . . 0.0 111.573 176.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.3 tpt180 -82.0 115.92 21.38 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.151 -177.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -70.49 158.26 36.38 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.662 -177.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -126.55 113.91 17.4 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.061 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 30.7 p-10 -102.06 5.62 40.62 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-O 121.143 0.497 . . . . 0.0 110.158 177.385 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -121.44 153.98 37.15 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.662 -0.699 . . . . 0.0 109.327 176.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 20.5 m -141.42 138.58 33.05 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-O 120.957 0.408 . . . . 0.0 110.951 -177.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.2 t -79.08 119.23 21.91 Favored 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 175.488 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 12.7 mptt -73.82 -19.01 60.87 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 111.649 0.24 . . . . 0.0 111.649 -172.385 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 28.7 mtpp -85.66 -4.36 59.14 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 112.861 0.689 . . . . 0.0 112.861 -176.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.1 p -149.96 -12.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.371 -0.532 . . . . 0.0 112.291 177.149 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm 69.3 22.03 6.79 Favored 'General case' 0 N--CA 1.465 0.28 0 C-N-CA 123.45 0.7 . . . . 0.0 111.807 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -85.51 140.4 30.69 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 108.442 -0.948 . . . . 0.0 108.442 170.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.9 m -93.95 143.85 10.77 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.768 0 CA-C-O 121.247 0.546 . . . . 0.0 111.568 -173.629 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.585 HD12 ' HA ' ' A' ' 35' ' ' ASN . 6.6 pt -137.12 150.57 26.44 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.74 -176.073 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 33' ' ' GLU . 23.7 p -83.08 164.65 20.15 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.356 179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 10.2 mmm180 -75.18 14.68 0.52 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.926 0.393 . . . . 0.0 111.262 179.684 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.403 ' HB2' ' SG ' ' A' ' 31' ' ' CYS . 41.3 mt-10 -111.68 -9.57 14.12 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 171.728 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -130.03 27.55 5.13 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.649 -179.672 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.585 ' HA ' HD12 ' A' ' 30' ' ' ILE . 7.8 t30 -115.04 125.52 53.66 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.589 0.709 . . . . 0.0 112.781 -170.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 15.4 pt -124.95 32.45 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-N 114.773 -1.103 . . . . 0.0 108.743 167.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 37.8 t70 61.47 20.25 11.02 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-O 122.549 1.166 . . . . 0.0 109.773 -172.05 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 43.6 ttm -171.85 158.86 4.99 Favored 'General case' 0 C--N 1.315 -0.921 0 CA-C-N 114.186 -1.37 . . . . 0.0 107.642 -175.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.546 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 1.8 p -100.35 153.23 19.49 Favored 'General case' 0 C--N 1.312 -1.044 0 N-CA-C 108.784 -0.821 . . . . 0.0 108.784 175.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.7 tt0 -59.45 -22.62 61.77 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.738 -176.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 64.3 m -77.37 -4.72 46.62 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.741 0.275 . . . . 0.0 111.741 178.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 77.1 m -122.08 -16.92 7.38 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.561 0.219 . . . . 0.0 111.282 175.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 40.6 t80 . . . . . 0 C--O 1.248 1.018 0 CA-C-O 118.338 -0.839 . . . . 0.0 110.696 -175.536 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 N--CA 1.48 1.074 0 CA-C-O 120.851 0.358 . . . . 0.0 110.675 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 65.9 mtt -83.19 132.55 35.06 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.327 -0.62 . . . . 0.0 109.327 176.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 48.1 mmtm 63.29 88.32 0.1 Allowed 'General case' 0 C--O 1.233 0.231 0 O-C-N 123.743 0.652 . . . . 0.0 110.896 -176.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -61.97 -24.46 67.03 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.818 178.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.8 ttm180 -81.46 26.56 0.46 Allowed 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.034 -176.5 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.2 m -95.98 -18.85 19.95 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.601 0.715 . . . . 0.0 109.817 175.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.8 m-85 -105.03 139.15 40.14 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.645 -176.636 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 7.7 t -55.97 123.1 13.21 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.171 -0.922 . . . . 0.0 111.762 -177.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 90.0 m -64.72 -27.59 69.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.565 -0.743 . . . . 0.0 111.396 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 -76.62 -20.49 56.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.774 177.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 17.4 m -89.41 123.91 65.73 Favored Pre-proline 0 C--N 1.324 -0.532 0 CA-C-N 116.009 -0.541 . . . . 0.0 109.802 175.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 41.7 Cg_exo -55.86 149.74 49.59 Favored 'Trans proline' 0 C--O 1.235 0.35 0 C-N-CA 122.857 2.372 . . . . 0.0 111.754 176.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.401 ' O ' ' HG2' ' A' ' 16' ' ' ARG . 49.2 m -63.69 -16.44 61.05 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.034 -0.53 . . . . 0.0 112.4 -174.482 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.2 mmtt -83.25 -21.19 33.41 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.833 0.349 . . . . 0.0 110.835 175.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.9 mm -81.55 -40.55 18.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.302 -178.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 13' ' ' SER . 8.7 mmm180 55.03 69.66 0.71 Allowed 'General case' 0 N--CA 1.467 0.401 0 N-CA-C 112.191 0.441 . . . . 0.0 112.191 173.55 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 66.5 mtm180 -119.41 127.76 53.41 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.929 0.395 . . . . 0.0 110.167 175.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.56 146.15 54.83 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.825 -177.241 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.466 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -94.82 124.4 38.84 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.291 -178.649 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -96.55 -0.23 49.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.736 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.36 174.57 10.8 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.926 -0.579 . . . . 0.0 109.956 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.0 t -155.85 148.01 23.47 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-O 120.946 0.403 . . . . 0.0 110.261 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 43.2 t -83.15 111.43 18.91 Favored 'General case' 0 N--CA 1.445 -0.702 0 N-CA-C 109.004 -0.739 . . . . 0.0 109.004 173.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -62.8 -34.61 77.64 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.16 -175.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -63.67 -50.62 68.53 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.039 0.447 . . . . 0.0 111.088 179.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . 0.748 ' SG ' ' HA ' ' A' ' 42' ' ' CYS . 34.8 m -95.82 -10.48 28.86 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 115.874 -0.603 . . . . 0.0 112.133 -170.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 67.4 mttm 60.22 24.24 13.61 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.344 -178.234 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -100.18 133.81 44.03 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.624 -0.716 . . . . 0.0 109.651 176.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.466 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 14.7 m -85.22 145.68 7.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.265 0.555 . . . . 0.0 111.21 -177.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.431 HD12 ' HB3' ' A' ' 35' ' ' ASN . 7.2 pt -139.31 146.41 25.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.042 -173.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 15.2 p -86.73 144.76 26.94 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 175.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 30.3 mtm180 -71.69 -7.41 47.85 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 120.876 0.37 . . . . 0.0 111.284 -174.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -79.88 -22.95 42.24 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 109.384 -0.599 . . . . 0.0 109.384 172.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.55 ' C ' HD22 ' A' ' 35' ' ' ASN . 3.1 m170 -97.81 -64.76 1.01 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.515 -0.766 . . . . 0.0 109.947 176.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.569 ' OD1' ' HA ' ' A' ' 39' ' ' CYS . 0.9 OUTLIER -133.17 126.86 32.58 Favored 'General case' 0 C--N 1.321 -0.633 0 N-CA-C 109.037 -0.727 . . . . 0.0 109.037 -178.564 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 9.4 tp -71.43 -34.82 54.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.102 -176.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -178.03 137.8 0.19 Allowed 'General case' 0 C--O 1.234 0.24 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 178.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.5 ttp 65.67 114.97 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.334 0 O-C-N 123.746 0.654 . . . . 0.0 110.5 -174.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.569 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 1.4 p -79.32 173.43 12.59 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.109 -174.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -103.52 8.2 37.76 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.279 0.562 . . . . 0.0 110.574 179.626 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 17.8 t -111.86 54.08 0.71 Allowed 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 176.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.748 ' HA ' ' SG ' ' A' ' 26' ' ' CYS . 54.4 m -92.92 -156.54 0.48 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.535 -0.757 . . . . 0.0 111.164 -177.607 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.539 -0.743 . . . . 0.0 110.343 -176.503 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 N--CA 1.484 1.244 0 CA-C-O 120.535 0.207 . . . . 0.0 111.428 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.4 mmt -83.13 125.33 31.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.878 0.371 . . . . 0.0 110.43 -179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 5' ' ' ARG . 21.8 tptm -152.82 129.58 10.88 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.041 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 5.2 tppp? -62.18 110.12 1.52 Allowed 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 173.099 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.573 ' HB3' HG11 ' A' ' 29' ' ' VAL . 97.1 mtt180 -103.93 47.44 0.88 Allowed 'General case' 0 C--N 1.32 -0.702 0 CA-C-O 121.167 0.508 . . . . 0.0 111.139 -175.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 52.8 m -97.64 -37.97 9.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.817 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.0 m-85 -106.57 147.74 29.09 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.164 -176.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.421 ' HB2' ' HB3' ' A' ' 31' ' ' CYS . 15.0 t -61.21 128.93 38.78 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 114.927 -1.033 . . . . 0.0 111.151 -178.724 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 29.3 m -72.31 -25.09 61.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.489 -177.321 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 22.9 m-85 -84.56 -16.46 42.13 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.065 0.46 . . . . 0.0 111.039 178.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.42 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 17.1 m -94.28 132.57 28.86 Favored Pre-proline 0 C--N 1.318 -0.767 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.799 175.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.455 ' HB2' HG12 ' A' ' 15' ' ' ILE . 33.6 Cg_exo -55.59 140.63 83.81 Favored 'Trans proline' 0 C--O 1.234 0.324 0 C-N-CA 122.578 2.185 . . . . 0.0 111.301 177.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 22.8 t -59.06 -27.87 65.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.391 -0.822 . . . . 0.0 112.066 -171.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.402 ' HD3' ' HA ' ' A' ' 14' ' ' LYS . 74.6 mmtt -84.63 -0.51 53.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.736 0.303 . . . . 0.0 111.757 -179.012 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.455 HG12 ' HB2' ' A' ' 12' ' ' PRO . 51.6 mm -86.85 -26.41 6.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.425 0.631 . . . . 0.0 109.463 172.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 98.9 mtt180 55.77 40.98 30.74 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-N 114.745 -1.116 . . . . 0.0 111.661 178.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 5.5 tpp180 -85.81 119.82 26.55 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.335 178.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -72.1 144.31 48.72 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.066 0.46 . . . . 0.0 111.038 -173.452 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -93.26 128.53 39.28 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.877 -0.602 . . . . 0.0 110.248 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.453 HD22 ' N ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER -109.62 -15.61 14.13 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.855 0.36 . . . . 0.0 110.64 -179.551 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.4 162.03 28.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.022 -179.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.429 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 13.7 m -135.44 135.35 40.49 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-N 116.535 -0.302 . . . . 0.0 110.454 179.68 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.3 t -78.25 111.99 14.78 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.103 -0.703 . . . . 0.0 109.103 175.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.406 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 3.4 mptp? -67.65 -29.26 68.51 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.396 -169.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.0 tttm -68.37 -42.09 79.67 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.747 -175.106 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.2 p -115.5 -7.13 12.26 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.647 -0.421 . . . . 0.0 111.823 -174.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 62.0 mttp 71.66 17.49 5.52 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 177.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -89.06 136.41 33.03 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 175.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.573 HG11 ' HB3' ' A' ' 5' ' ' ARG . 18.4 m -92.35 147.64 5.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.069 0.462 . . . . 0.0 111.605 -176.863 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.638 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.5 pt -138.58 152.18 24.79 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-O 121.386 0.612 . . . . 0.0 111.515 -174.058 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 8' ' ' CYS . 28.6 p -83.68 173.49 11.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.182 -178.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.722 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 48.6 mtp180 -72.38 -4.49 30.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.865 -175.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -103.75 -8.48 19.81 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.001 0.429 . . . . 0.0 110.264 174.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 24.0 m170 -122.52 7.63 9.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.039 -178.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.722 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 0.2 OUTLIER -96.31 124.86 40.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.788 0.804 . . . . 0.0 112.325 -177.903 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 6.5 mt -116.64 21.33 6.34 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.792 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 172.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 56.18 30.24 16.17 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 114.881 -1.054 . . . . 0.0 108.467 -163.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 3.1 tpt 177.92 139.83 0.08 Allowed 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 106.592 -1.632 . . . . 0.0 106.592 -170.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.9 p -89.95 158.38 17.42 Favored 'General case' 0 C--N 1.32 -0.714 0 C-N-CA 119.628 -0.829 . . . . 0.0 110.22 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 51.1 tt0 -51.29 -43.29 61.59 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 123.424 0.453 . . . . 0.0 111.944 -176.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 50.0 m -66.39 -27.1 67.6 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.23 0.456 . . . . 0.0 112.23 -174.64 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 86.1 m -97.38 -12.86 22.27 Favored 'General case' 0 C--N 1.329 -0.304 0 C-N-CA 120.773 -0.371 . . . . 0.0 110.818 179.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 49.1 t80 . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.394 -0.812 . . . . 0.0 110.335 -177.067 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 9.1 p . . . . . 0 N--CA 1.48 1.038 0 CA-C-O 120.759 0.314 . . . . 0.0 110.597 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 3.8 mpp? -119.83 55.21 0.99 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.184 0.516 . . . . 0.0 109.732 177.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -129.73 95.95 4.11 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.659 -0.7 . . . . 0.0 109.826 -177.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.506 ' HD2' ' N ' ' A' ' 4' ' ' LYS . 4.0 mptp? -81.07 -28.25 35.36 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.899 -177.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 96.4 mtt180 -92.04 34.56 1.01 Allowed 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.112 0.482 . . . . 0.0 111.529 -174.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.1 m -96.49 -24.18 16.21 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-O 121.82 0.819 . . . . 0.0 109.696 173.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -109.6 144.89 37.3 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-N 115.074 -0.967 . . . . 0.0 110.055 -178.081 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 13.7 t -52.21 126.45 18.87 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.756 -176.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 60.4 m -67.11 -33.33 75.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.266 -0.879 . . . . 0.0 111.15 -179.624 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.3 m-85 -69.07 -29.18 67.24 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.346 176.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.4 m -82.34 140.6 45.33 Favored Pre-proline 0 C--N 1.327 -0.375 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.295 177.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -61.49 134.87 53.76 Favored 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.353 2.035 . . . . 0.0 110.847 174.302 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 19.7 m -59.6 -25.43 64.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.274 -173.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -75.29 -18.49 60.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.646 0.26 . . . . 0.0 111.486 178.425 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 40.9 mm -73.32 -38.06 52.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 177.105 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 83.9 mtm180 60.73 58.68 2.34 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.75 -178.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 66.6 ttt180 -104.23 122.76 46.04 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 177.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.515 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 11.2 mptt -68.96 145.54 53.53 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.461 -171.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.455 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -100.78 113.6 26.65 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.187 -179.433 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -96.42 15.13 22.21 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 121.32 0.581 . . . . 0.0 110.169 178.208 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -148.65 157.35 43.39 Favored 'General case' 0 N--CA 1.449 -0.475 0 CA-C-N 115.386 -0.824 . . . . 0.0 109.55 176.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.487 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 15.1 m -142.57 132.32 24.06 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.767 0.318 . . . . 0.0 110.364 -179.841 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 49.2 t -77.17 101.73 6.3 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 109.707 -0.479 . . . . 0.0 109.707 178.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -59.2 -27.08 65.38 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.863 -174.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.6 mttp -63.53 -51.65 64.54 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.972 0.36 . . . . 0.0 111.972 179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.9 p -110.86 -2.2 16.2 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.513 -0.475 . . . . 0.0 112.113 -173.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.13 34.34 13.72 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.283 0.563 . . . . 0.0 111.248 179.03 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 56.9 mttp -109.35 134.89 51.26 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.362 174.277 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.487 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 21.0 m -87.56 146.82 5.8 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.772 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.409 -172.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.451 HD12 ' HB2' ' A' ' 35' ' ' ASN . 11.2 pt -139.36 154.16 24.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.205 -174.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 17.6 p -94.18 148.66 21.97 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 109.124 -0.695 . . . . 0.0 109.124 176.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 12.7 mmm180 -65.14 -14.34 60.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.933 -173.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -85.34 -21.56 28.86 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.037 0.446 . . . . 0.0 110.297 177.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.1 m170 -92.27 -42.42 9.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.818 179.436 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.451 ' HB2' HD12 ' A' ' 30' ' ' ILE . 2.3 m120 -146.79 179.28 7.69 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.102 -0.499 . . . . 0.0 109.927 178.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 69.5 mt -90.96 -66.95 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-O 121.145 0.498 . . . . 0.0 110.337 177.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -142.33 -42.65 0.33 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.745 -177.221 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 57.6 mtm -101.03 133.6 45.29 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.101 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -86.74 150.56 24.08 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 108.664 -0.865 . . . . 0.0 108.664 177.403 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 47.3 mt-30 -105.85 26.01 10.17 Favored 'General case' 0 C--N 1.315 -0.922 0 CA-C-O 120.918 0.39 . . . . 0.0 110.989 -172.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 56.9 m -116.19 18.37 15.37 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.959 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 11.1 p -127.94 -86.34 0.58 Allowed 'General case' 0 C--O 1.235 0.326 0 C-N-CA 120.765 -0.374 . . . . 0.0 111.179 177.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 15.0 p90 . . . . . 0 C--O 1.249 1.057 0 CA-C-O 119.03 -0.509 . . . . 0.0 110.472 -179.351 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 15.5 m . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.725 0.298 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 15.8 tpt -163.39 121.83 1.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.568 178.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -129.74 121.22 26.45 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.22 0.533 . . . . 0.0 110.432 179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -87.14 -47.99 8.43 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.657 -0.702 . . . . 0.0 110.609 -177.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 -78.85 4.73 13.21 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.387 -174.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 51.2 m -88.81 -17.21 30.21 Favored 'General case' 0 C--N 1.32 -0.704 0 CA-C-O 121.818 0.818 . . . . 0.0 109.225 172.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -112.55 147.21 37.09 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.342 -179.331 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.0 t -60.3 123.67 17.95 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.367 -0.833 . . . . 0.0 111.705 -176.154 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 32.7 m -66.58 -29.56 69.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.265 -0.879 . . . . 0.0 111.233 -179.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 16.5 m-30 -80.74 -18.02 49.09 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.928 -178.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.647 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 11.5 m -88.49 133.93 35.34 Favored Pre-proline 0 C--N 1.32 -0.699 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.663 174.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.41 ' HB2' HG12 ' A' ' 15' ' ' ILE . 33.6 Cg_exo -57.98 141.96 96.41 Favored 'Trans proline' 0 C--O 1.233 0.236 0 C-N-CA 122.471 2.114 . . . . 0.0 111.546 178.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 39.8 m -63.21 -21.48 66.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.8 -0.637 . . . . 0.0 112.147 -174.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -78.41 -18.17 55.37 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.885 0.374 . . . . 0.0 110.884 176.226 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.41 HG12 ' HB2' ' A' ' 12' ' ' PRO . 46.8 mm -81.84 -36.32 14.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.152 178.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 54.95 67.05 1.08 Allowed 'General case' 0 N--CA 1.465 0.281 0 CA-C-O 120.942 0.401 . . . . 0.0 111.089 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.647 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 39.2 ttm180 -110.01 120.76 43.48 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.841 179.326 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -61.11 148.36 40.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.221 -176.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -111.06 111.89 23.31 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.814 178.352 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.9 t30 -87.45 -22.42 24.96 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.93 0.395 . . . . 0.0 110.79 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.07 162.41 17.05 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 121.164 0.507 . . . . 0.0 110.781 -177.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.6 m -142.27 148.44 38.08 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 115.969 -0.56 . . . . 0.0 109.536 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 41.0 t -93.1 117.92 30.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.088 0.47 . . . . 0.0 110.136 179.277 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 52.2 tptt -57.34 -41.0 79.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.021 -0.991 . . . . 0.0 113.179 -169.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.1 mttp -75.2 -56.36 4.8 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 112.464 0.542 . . . . 0.0 112.464 -174.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.5 p -86.91 -13.25 45.31 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.571 -0.452 . . . . 0.0 111.521 -174.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp 69.14 19.22 8.04 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 122.92 0.488 . . . . 0.0 111.81 177.044 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -86.51 138.83 31.42 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 174.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 26.9 m -92.93 141.76 14.19 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.113 0.482 . . . . 0.0 110.665 -178.238 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 4.9 pt -139.33 146.81 25.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-O 121.396 0.617 . . . . 0.0 111.475 -172.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 22.9 p -81.69 163.2 22.65 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.472 -0.785 . . . . 0.0 110.11 -179.254 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.509 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 95.0 mtt180 -67.16 -4.3 9.86 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.788 -179.145 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 73.5 mm-40 -102.57 -5.75 23.58 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.771 0.32 . . . . 0.0 111.054 176.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 12.6 m170 -124.07 -2.21 8.19 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.294 -179.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.509 ' OD1' ' HA ' ' A' ' 32' ' ' ARG . 24.7 p-10 -104.63 146.66 28.61 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.663 0.744 . . . . 0.0 112.381 -170.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.401 HG13 ' HB3' ' A' ' 38' ' ' MET . 32.2 pt -113.91 36.04 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.718 0 N-CA-C 107.433 -1.321 . . . . 0.0 107.433 163.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 58.21 32.52 22.13 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 114.315 -1.311 . . . . 0.0 109.451 -168.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.401 ' HB3' HG13 ' A' ' 36' ' ' ILE . 27.3 ttt 171.39 160.67 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 106.098 -1.815 . . . . 0.0 106.098 -172.133 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.509 ' SG ' ' HB3' ' A' ' 41' ' ' SER . 0.5 OUTLIER -101.68 142.33 33.2 Favored 'General case' 0 C--N 1.319 -0.74 0 C-N-CA 119.842 -0.743 . . . . 0.0 109.136 175.579 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -72.99 -7.19 50.05 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.287 -175.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.509 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 28.1 t -75.28 -20.48 59.13 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 175.579 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 89.3 m -98.41 0.58 45.6 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.219 174.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 68.4 t80 . . . . . 0 C--O 1.25 1.105 0 CA-C-O 118.62 -0.705 . . . . 0.0 109.775 -179.039 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 10.8 p . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 109.925 -0.398 . . . . 0.0 109.925 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 14.7 tpt -79.16 127.19 31.72 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.694 -179.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 58.2 mtpt 64.05 96.83 0.04 OUTLIER 'General case' 0 C--O 1.235 0.322 0 O-C-N 123.758 0.661 . . . . 0.0 112.149 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.7 mmtp -68.4 -29.46 68.16 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.973 -0.751 . . . . 0.0 108.973 172.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -80.33 47.68 0.95 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.183 -179.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 65.4 m -109.11 -16.93 13.99 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-O 122.04 0.924 . . . . 0.0 108.8 172.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . 0.4 ' CE2' ' HD3' ' A' ' 18' ' ' LYS . 96.9 m-85 -119.24 142.8 47.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 114.761 -1.109 . . . . 0.0 109.882 -179.354 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.407 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 18.0 t -52.31 121.15 6.4 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.234 -0.894 . . . . 0.0 112.112 -173.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 25.4 m -65.46 -24.02 67.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.237 -0.892 . . . . 0.0 111.102 -178.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.551 ' OH ' ' HB2' ' A' ' 39' ' ' CYS . 6.7 m-85 -83.92 -19.48 34.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.887 178.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.726 ' SG ' ' HD2' ' A' ' 17' ' ' ARG . 5.6 m -89.82 156.78 46.98 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.48 178.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.446 ' HB2' HG12 ' A' ' 15' ' ' ILE . 5.2 Cg_exo -73.67 127.44 11.65 Favored 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.479 2.119 . . . . 0.0 110.468 173.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 6.2 m -57.29 -30.79 65.02 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.564 -0.744 . . . . 0.0 112.38 -171.197 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 2.0 mptm? -73.03 -13.28 61.19 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.446 HG12 ' HB2' ' A' ' 12' ' ' PRO . 34.8 mm -85.79 -16.7 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 121.711 0.767 . . . . 0.0 110.105 178.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 29.4 mmt180 57.39 41.62 26.06 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 114.539 -1.209 . . . . 0.0 112.536 172.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.726 ' HD2' ' SG ' ' A' ' 11' ' ' CYS . 84.5 mtt180 -83.24 120.99 26.51 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.946 0.403 . . . . 0.0 110.506 178.421 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.4 ' HD3' ' CE2' ' A' ' 7' ' ' TYR . 72.4 mmtt -63.81 140.72 58.9 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.571 -178.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -97.09 98.92 10.45 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.22 176.342 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 -84.94 1.23 48.28 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.973 -178.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -138.54 162.42 34.59 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.357 179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.0 t -147.36 134.17 20.1 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 109.634 -0.506 . . . . 0.0 109.634 179.47 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.5 t -68.74 119.26 12.84 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.463 -178.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -58.33 -35.25 71.61 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.678 -170.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.535 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 60.3 tttm -79.03 -51.6 9.37 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -173.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.9 p -98.02 -9.54 25.86 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -172.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 57.7 mtpt 67.87 18.72 9.62 Favored 'General case' 0 N--CA 1.467 0.382 0 C-N-CA 122.963 0.505 . . . . 0.0 112.275 177.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -80.36 149.44 30.23 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 109.11 -0.7 . . . . 0.0 109.11 172.34 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.424 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 21.9 m -98.35 140.3 18.5 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-O 121.205 0.526 . . . . 0.0 111.222 -176.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 15.0 pt -138.18 153.8 27.27 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.835 -174.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 34' ' ' HIS . 18.5 p -91.52 147.81 22.75 Favored 'General case' 0 C--N 1.321 -0.651 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 176.843 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . . . . . . . . . 16.4 mmm180 -68.47 -7.09 28.86 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.531 -176.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -89.3 -21.8 22.98 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.445 175.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . 0.543 ' C ' HD22 ' A' ' 35' ' ' ASN . 0.2 OUTLIER -91.57 -58.27 2.48 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.96 0.409 . . . . 0.0 110.565 -179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.543 HD22 ' C ' ' A' ' 34' ' ' HIS . 0.9 OUTLIER -129.67 -172.28 2.72 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.06 -0.518 . . . . 0.0 109.782 -176.82 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.668 HG23 ' H ' ' A' ' 37' ' ' ASP . 3.6 tp -91.81 -90.98 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 C-N-CA 120.939 -0.304 . . . . 0.0 110.702 179.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.668 ' H ' HG23 ' A' ' 36' ' ' ILE . 8.3 p-10 -134.11 17.88 3.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.997 0.903 . . . . 0.0 109.094 172.006 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 55.8 ttp -150.78 135.84 17.58 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 114.66 -1.155 . . . . 0.0 109.205 -176.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.551 ' HB2' ' OH ' ' A' ' 10' ' ' TYR . 1.3 p -82.79 156.84 23.47 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 -178.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -77.58 7.22 5.84 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.336 -0.393 . . . . 0.0 112.044 -173.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 68.0 m -107.13 14.88 25.79 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.942 0.401 . . . . 0.0 110.955 177.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.535 ' SG ' ' HB3' ' A' ' 25' ' ' LYS . 73.6 m -128.52 143.16 50.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.079 176.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 82.3 m-85 . . . . . 0 C--O 1.249 1.061 0 O-C-N 124.035 0.835 . . . . 0.0 111.412 178.961 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 41.3 t . . . . . 0 N--CA 1.484 1.254 0 CA-C-O 120.853 0.359 . . . . 0.0 110.496 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 22.9 mmt -111.91 124.32 52.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.405 179.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -87.29 69.2 9.97 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.198 0.523 . . . . 0.0 110.52 178.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.2 mmtp -81.11 -36.31 30.52 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.781 -179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 27.2 mmt180 -87.56 17.2 4.77 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.741 -177.264 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 34.3 m -108.25 -27.99 9.71 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.445 0.641 . . . . 0.0 110.32 177.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 86.7 m-85 -112.05 143.89 42.31 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.744 -176.13 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 25.4 t -54.77 120.26 6.53 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.763 -176.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 36.3 m -65.68 -26.78 67.93 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.307 -0.86 . . . . 0.0 111.144 -179.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -81.02 -17.11 51.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.514 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.403 ' SG ' ' HB2' ' A' ' 17' ' ' ARG . 4.9 m -88.69 140.93 29.75 Favored Pre-proline 0 C--N 1.323 -0.582 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.19 177.394 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.408 ' HB2' HG12 ' A' ' 15' ' ' ILE . 23.5 Cg_exo -61.56 138.68 77.12 Favored 'Trans proline' 0 N--CA 1.461 -0.418 0 C-N-CA 122.206 1.937 . . . . 0.0 110.461 174.155 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.2 m -60.68 -23.19 64.64 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.323 -172.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 73.7 mmtt -80.63 -12.45 59.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.653 0.263 . . . . 0.0 111.669 178.101 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.421 HG22 ' HG2' ' A' ' 17' ' ' ARG . 49.2 mm -87.46 -32.9 6.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 N-CA-C 110.169 -0.308 . . . . 0.0 110.169 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 96.9 mtt180 55.29 71.81 0.52 Allowed 'General case' 0 C--O 1.237 0.406 0 CA-C-O 121.094 0.474 . . . . 0.0 111.943 175.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.421 ' HG2' HG22 ' A' ' 15' ' ' ILE . 15.5 mmm180 -107.52 114.65 28.79 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.25 175.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 133.03 52.89 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.124 179.242 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -87.44 111.62 21.32 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.913 -0.585 . . . . 0.0 111.037 -177.169 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 -94.3 1.89 55.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.162 0.506 . . . . 0.0 110.437 176.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -132.55 163.69 28.28 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.73 -0.668 . . . . 0.0 109.723 177.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.6 m -144.91 157.02 44.29 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-O 120.912 0.387 . . . . 0.0 110.555 -178.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 45.1 t -105.2 98.96 8.59 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 109.261 -0.644 . . . . 0.0 109.261 173.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.9 ptpp? -66.58 -11.65 54.17 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.864 0.364 . . . . 0.0 111.502 -174.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -74.99 -25.65 58.98 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.576 -179.204 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 29.4 p -138.67 -5.51 1.54 Allowed 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -177.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.1 mmmt 71.34 22.38 4.31 Favored 'General case' 0 N--CA 1.466 0.342 0 C-N-CA 123.18 0.592 . . . . 0.0 112.468 178.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -89.48 139.68 30.28 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 108.956 -0.757 . . . . 0.0 108.956 171.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.5 m -99.4 144.6 11.81 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.759 0 CA-C-O 120.752 0.311 . . . . 0.0 110.965 -176.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 35' ' ' ASN . 5.0 pt -138.93 149.16 23.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.122 0.487 . . . . 0.0 111.442 -173.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.476 ' O ' ' HB3' ' A' ' 35' ' ' ASN . 19.8 p -84.26 168.45 15.68 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.858 -178.646 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.503 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 41.0 mmt180 -72.75 -1.33 16.07 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.067 0.395 . . . . 0.0 112.067 -177.327 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -99.76 -10.72 21.53 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 172.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 38.6 m170 -128.95 22.24 5.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.214 -178.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.592 ' HA ' HD12 ' A' ' 30' ' ' ILE . 0.9 OUTLIER -106.72 125.84 51.52 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.815 0.817 . . . . 0.0 111.881 -173.668 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.47 ' HB ' ' O ' ' A' ' 38' ' ' MET . 16.1 mt -108.53 10.24 9.08 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 N-CA-C 106.961 -1.496 . . . . 0.0 106.961 164.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 61.86 21.13 12.03 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 114.431 -1.258 . . . . 0.0 109.077 -166.049 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.47 ' O ' ' HB ' ' A' ' 36' ' ' ILE . 57.3 ttp -172.65 131.92 0.56 Allowed 'General case' 0 N--CA 1.443 -0.806 0 CA-C-N 113.001 -1.909 . . . . 0.0 106.603 179.265 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.614 ' SG ' ' HB3' ' A' ' 41' ' ' SER . 1.9 p -76.17 156.08 33.99 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 -174.559 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.6 mt-30 -67.06 -15.74 63.91 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.804 -176.215 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.614 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 47.6 t -76.86 -18.08 58.57 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.619 177.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 81.2 m -109.42 -0.64 18.86 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.985 0.422 . . . . 0.0 110.411 175.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 89.2 t80 . . . . . 0 C--O 1.251 1.16 0 CA-C-O 118.711 -0.661 . . . . 0.0 110.474 -179.364 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.479 0.992 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 24.6 ptm -142.89 149.82 38.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.149 -179.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? 63.93 75.68 0.38 Allowed 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.421 0.629 . . . . 0.0 111.495 -179.525 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.3 mmmp? -75.78 -18.9 59.36 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.598 174.718 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 94.5 mtt180 -75.61 18.06 0.26 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.396 178.657 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 35.9 m -85.92 -20.05 29.59 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-O 121.955 0.883 . . . . 0.0 109.122 171.138 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 77.3 m-85 -124.16 151.8 43.59 Favored 'General case' 0 N--CA 1.447 -0.578 0 CA-C-N 114.821 -1.081 . . . . 0.0 110.349 -178.234 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 19.2 t -52.67 122.85 9.81 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.159 -0.928 . . . . 0.0 112.018 -175.353 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 24.5 m -64.29 -27.69 69.2 Favored 'General case' 0 N--CA 1.453 -0.287 0 CA-C-N 115.19 -0.913 . . . . 0.0 111.229 -179.564 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -80.86 -25.36 37.71 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.162 179.255 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 21.8 m -83.0 135.56 44.9 Favored Pre-proline 0 C--N 1.326 -0.442 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 175.477 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_exo -58.24 143.36 97.19 Favored 'Trans proline' 0 C--N 1.343 0.285 0 C-N-CA 122.389 2.059 . . . . 0.0 111.669 178.68 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.1 m -64.19 -15.4 59.81 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.723 -177.388 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -77.94 -18.7 55.74 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.962 0.41 . . . . 0.0 110.5 175.635 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 51.6 mm -89.68 -47.83 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.127 -179.987 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 72.7 mtm180 59.77 70.97 0.6 Allowed 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.974 0.416 . . . . 0.0 110.55 -177.41 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 29.3 tpt180 -98.77 126.88 44.53 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 178.654 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.4 mptp? -56.57 120.68 8.15 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.063 -177.356 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -85.61 96.66 9.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.803 -0.635 . . . . 0.0 109.966 177.14 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 82.8 m-20 -78.45 -12.86 60.03 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-O 121.025 0.44 . . . . 0.0 110.523 -179.103 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.96 168.18 16.37 Favored 'General case' 0 N--CA 1.446 -0.634 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.1 -177.667 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.5 p -144.44 142.4 30.27 Favored 'General case' 0 C--N 1.318 -0.775 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.698 177.695 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 42.1 t -79.24 109.05 13.22 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.624 -178.013 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -76.33 69.47 2.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.84 -175.593 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -172.47 -46.56 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.402 -0.817 . . . . 0.0 109.347 174.98 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 31.1 p -106.19 -13.83 15.31 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.806 -0.633 . . . . 0.0 110.358 177.668 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm 69.34 18.86 7.89 Favored 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 115.274 -0.875 . . . . 0.0 112.067 176.649 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 95.5 mttt -76.51 133.12 39.85 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 109.147 -0.686 . . . . 0.0 109.147 171.446 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.7 m -84.97 138.37 19.21 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.767 0 CA-C-O 121.011 0.434 . . . . 0.0 109.978 -178.887 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 20.5 pt -139.77 153.49 23.25 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-O 121.322 0.582 . . . . 0.0 111.516 -172.229 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 14.5 p -89.18 140.59 29.31 Favored 'General case' 0 N--CA 1.444 -0.763 0 N-CA-C 107.499 -1.297 . . . . 0.0 107.499 170.597 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.543 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 19.9 mtm180 -77.25 4.53 10.36 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.183 0.516 . . . . 0.0 111.123 -177.806 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -84.86 -16.27 41.82 Favored 'General case' 0 C--N 1.321 -0.659 0 N-CA-C 108.529 -0.915 . . . . 0.0 108.529 168.938 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -100.55 -56.86 2.24 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.217 -0.901 . . . . 0.0 110.216 174.681 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.543 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 2.7 m120 -144.67 144.03 31.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.595 -178.909 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 45.8 mm -87.58 84.01 2.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.425 -174.888 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.496 ' OD1' ' HD3' ' A' ' 32' ' ' ARG . 8.2 m-20 60.47 11.4 2.96 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.618 -0.719 . . . . 0.0 112.809 174.672 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 43.6 tpp -154.4 120.47 5.3 Favored 'General case' 0 C--N 1.321 -0.649 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 177.732 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.495 ' SG ' ' HB3' ' A' ' 41' ' ' SER . 0.8 OUTLIER -78.68 148.58 33.07 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.102 0.477 . . . . 0.0 109.923 -174.424 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -68.37 -6.77 26.25 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.066 -176.792 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.495 ' HB3' ' SG ' ' A' ' 39' ' ' CYS . 43.4 t -83.74 -12.81 55.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.844 0.354 . . . . 0.0 110.294 176.411 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 97.8 m -106.02 -164.79 1.04 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.253 176.86 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 25.6 p90 . . . . . 0 C--O 1.248 0.98 0 CA-C-O 118.418 -0.801 . . . . 0.0 110.883 -178.067 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 95.9 t . . . . . 0 N--CA 1.477 0.882 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 25.4 mmt -111.44 122.82 48.86 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-O 120.835 0.35 . . . . 0.0 110.38 -179.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.516 ' HB3' ' OG1' ' A' ' 6' ' ' THR . 14.5 mmmm -115.29 70.14 0.74 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.138 0.495 . . . . 0.0 110.034 -179.209 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.8 mmmm -71.44 -27.23 63.13 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.197 -177.981 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.3 mtt-85 -98.58 28.96 3.9 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.594 0.711 . . . . 0.0 110.636 -179.918 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.516 ' OG1' ' HB3' ' A' ' 3' ' ' LYS . 88.8 m -112.75 -33.54 6.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.459 -0.791 . . . . 0.0 109.563 172.863 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 95.7 m-85 -103.74 144.97 30.77 Favored 'General case' 0 C--N 1.321 -0.671 0 CA-C-N 115.235 -0.893 . . . . 0.0 109.627 177.715 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 32.6 t -51.77 120.73 5.56 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.361 -176.047 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 23.0 m -66.99 -30.41 70.51 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.166 -0.924 . . . . 0.0 111.384 -176.226 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.445 ' CE1' ' HB2' ' A' ' 39' ' ' CYS . 34.0 m-85 -82.93 -11.6 58.03 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.969 0.414 . . . . 0.0 111.161 -179.784 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 4.5 m -85.81 144.56 39.7 Favored Pre-proline 0 C--N 1.321 -0.669 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 171.52 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.44 ' HB2' HG12 ' A' ' 15' ' ' ILE . 23.5 Cg_exo -62.86 136.18 55.92 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.389 2.06 . . . . 0.0 110.897 176.546 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 35.8 m -56.99 -27.09 61.23 Favored 'General case' 0 N--CA 1.464 0.274 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -172.064 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -76.39 -23.59 54.07 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.751 0.31 . . . . 0.0 111.341 -179.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.44 HG12 ' HB2' ' A' ' 12' ' ' PRO . 46.9 mm -72.96 -35.37 48.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.398 -178.808 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 54.6 66.14 1.31 Allowed 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.419 0.628 . . . . 0.0 111.098 179.077 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -102.4 119.6 39.09 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.293 -0.867 . . . . 0.0 109.387 178.112 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -62.04 136.22 57.86 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.785 0.326 . . . . 0.0 110.416 -179.331 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.24 147.64 34.3 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.456 178.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -108.75 -24.01 11.5 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.111 0.481 . . . . 0.0 110.14 -178.507 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -147.2 168.31 21.99 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.713 -0.676 . . . . 0.0 110.145 -178.391 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.419 ' HA ' ' HA ' ' A' ' 29' ' ' VAL . 15.1 m -126.3 133.39 51.41 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.132 179.172 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 51.6 t -70.76 109.64 5.09 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 176.556 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 72.7 mmtt -63.88 -20.94 66.21 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.597 -171.385 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' HG2' ' SD ' ' A' ' 38' ' ' MET . 14.6 mmmm -80.86 -18.1 48.49 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -174.623 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 30.3 p -140.96 -2.96 1.27 Allowed 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.113 -0.635 . . . . 0.0 112.676 -178.334 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt 66.51 20.39 10.86 Favored 'General case' 0 N--CA 1.467 0.417 0 C-N-CA 122.565 0.346 . . . . 0.0 111.817 178.64 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -93.56 136.68 33.6 Favored 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 175.181 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.419 ' HA ' ' HA ' ' A' ' 22' ' ' SER . 34.4 m -93.49 145.0 8.34 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.304 -171.971 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.55 HD12 ' HA ' ' A' ' 35' ' ' ASN . 6.1 pt -137.78 153.51 27.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-O 121.396 0.617 . . . . 0.0 111.884 -172.864 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 19.9 p -91.23 163.73 14.14 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.289 177.069 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.47 ' HA ' ' HB3' ' A' ' 35' ' ' ASN . 14.6 mmm180 -54.95 -40.32 69.82 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-N 118.089 0.404 . . . . 0.0 111.433 -177.892 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -64.42 -22.35 66.93 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.022 -178.96 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.0 m170 -115.7 15.4 16.49 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.54 179.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.55 ' HA ' HD12 ' A' ' 30' ' ' ILE . 6.6 t30 -107.76 124.34 49.9 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 113.044 0.757 . . . . 0.0 113.044 -171.004 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.466 ' C ' ' H ' ' A' ' 38' ' ' MET . 34.9 pt -121.83 37.87 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 N-CA-C 107.901 -1.148 . . . . 0.0 107.901 166.432 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 p30 54.79 8.1 0.2 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 125.444 1.498 . . . . 0.0 111.543 -167.695 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . 0.472 ' SD ' ' HG2' ' A' ' 25' ' ' LYS . 22.0 mmt -154.02 173.27 16.23 Favored 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 177.442 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.445 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 0.9 OUTLIER -107.38 148.0 29.64 Favored 'General case' 0 C--N 1.315 -0.91 0 N-CA-C 109.056 -0.72 . . . . 0.0 109.056 176.145 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -61.3 -16.3 44.39 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.571 -0.74 . . . . 0.0 112.814 -172.287 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 35.2 t -77.51 -18.21 57.24 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.892 0.377 . . . . 0.0 110.541 178.14 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.406 ' SG ' ' HB2' ' A' ' 25' ' ' LYS . 76.7 m -106.78 -0.46 23.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.939 178.853 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 76.8 t80 . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.687 -0.673 . . . . 0.0 110.164 -179.093 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.6 p . . . . . 0 N--CA 1.478 0.96 0 CA-C-O 121.083 0.468 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -118.33 51.86 1.06 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.424 0.631 . . . . 0.0 111.022 -177.321 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm -105.55 61.37 0.67 Allowed 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.249 177.644 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 34.4 mmtp -109.4 28.94 8.02 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.016 178.414 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 68.8 mtm180 -83.61 43.41 0.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.125 -175.689 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 87.5 m -88.68 -34.38 17.24 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-O 121.402 0.62 . . . . 0.0 110.688 178.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -113.52 152.92 29.56 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.736 -175.294 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.454 ' HB3' ' HB2' ' A' ' 11' ' ' CYS . 8.6 t -55.05 125.66 21.41 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.308 -0.86 . . . . 0.0 111.457 -178.477 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 14.9 m -63.13 -27.78 69.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.375 -0.83 . . . . 0.0 111.818 -176.896 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.492 ' CE2' ' HB2' ' A' ' 39' ' ' CYS . 11.3 m-85 -85.44 -20.43 29.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.217 0.532 . . . . 0.0 110.989 -179.899 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.454 ' HB2' ' HB3' ' A' ' 8' ' ' CYS . 20.0 m -92.96 147.89 34.76 Favored Pre-proline 0 C--N 1.32 -0.717 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.948 177.513 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.506 ' HB2' HG12 ' A' ' 15' ' ' ILE . 15.4 Cg_exo -67.34 126.69 15.35 Favored 'Trans proline' 0 N--CA 1.458 -0.609 0 C-N-CA 121.892 1.728 . . . . 0.0 110.67 175.79 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 29.9 m -61.15 -21.94 64.24 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.179 -0.464 . . . . 0.0 112.068 -175.164 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -82.08 -7.14 59.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.822 0.344 . . . . 0.0 111.343 178.245 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.506 HG12 ' HB2' ' A' ' 12' ' ' PRO . 48.2 mm -92.88 -11.87 9.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.921 0.867 . . . . 0.0 109.593 175.11 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 80.8 mtm180 61.16 44.19 10.29 Favored 'General case' 0 N--CA 1.462 0.174 0 CA-C-N 114.354 -1.294 . . . . 0.0 112.437 172.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 14.4 mmt180 -84.78 107.13 16.8 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.005 0.431 . . . . 0.0 110.08 176.806 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.18 134.28 53.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.597 -177.026 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.447 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -81.84 99.19 8.88 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.764 179.443 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.482 HD22 ' N ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER -84.37 6.01 24.84 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.555 178.971 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.89 171.09 18.31 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.006 0.432 . . . . 0.0 110.803 -178.209 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 28.1 p -146.37 136.55 23.66 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.953 -0.567 . . . . 0.0 109.953 178.014 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.503 ' HA ' ' O ' ' A' ' 37' ' ' ASP . 41.4 t -74.57 109.84 8.37 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 176.474 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 57.4 mtpt -67.74 -15.39 63.61 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.543 -172.897 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.456 ' HB3' ' SG ' ' A' ' 42' ' ' CYS . 26.9 tptp -78.25 -30.19 48.5 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.605 -177.913 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 28.1 p -131.18 -5.21 3.86 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -177.517 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.6 mmtt 63.56 31.74 14.53 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 122.877 0.471 . . . . 0.0 111.716 -177.987 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -93.71 127.92 39.66 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 109.135 -0.691 . . . . 0.0 109.135 170.053 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.447 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 29.9 m -76.72 140.87 16.46 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-O 120.976 0.417 . . . . 0.0 110.836 -177.233 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 18.0 pt -140.61 164.42 21.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.499 -176.723 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 18.2 p -95.6 148.87 22.07 Favored 'General case' 0 C--N 1.319 -0.751 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 178.563 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.478 ' HA ' ' O ' ' A' ' 35' ' ' ASN . 79.0 mtm180 -69.99 -5.38 25.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.269 0.557 . . . . 0.0 110.36 179.254 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 34.6 mt-10 -86.02 -12.7 49.56 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.525 175.187 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 1.7 m170 -107.12 -42.44 4.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.943 175.665 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.478 ' O ' ' HA ' ' A' ' 32' ' ' ARG . 14.3 t-20 -172.83 166.42 5.25 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 174.744 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.426 HG23 ' OD1' ' A' ' 37' ' ' ASP . 8.4 tp -88.05 -32.5 6.1 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.485 0 CA-C-N 116.21 -0.45 . . . . 0.0 112.186 -175.072 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.503 ' O ' ' HA ' ' A' ' 23' ' ' CYS . 6.1 p-10 -166.9 10.73 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 113.433 0.901 . . . . 0.0 113.433 178.834 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 85.6 mtp -131.96 125.39 31.47 Favored 'General case' 0 C--N 1.321 -0.65 0 O-C-N 121.883 -0.51 . . . . 0.0 111.07 -176.759 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.492 ' HB2' ' CE2' ' A' ' 10' ' ' TYR . 0.7 OUTLIER -97.02 154.37 17.35 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 176.175 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 53.5 mt-30 -75.4 -8.62 57.16 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.88 -173.998 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.2 t -83.63 0.39 47.05 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.073 0.464 . . . . 0.0 110.149 177.6 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 25' ' ' LYS . 68.6 m -120.46 175.54 5.93 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.291 -179.983 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 . . . . . 0 C--O 1.251 1.143 0 O-C-N 124.237 0.961 . . . . 0.0 111.427 175.449 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 38.7 t . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.806 0.336 . . . . 0.0 110.139 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' MET . . . . . . . . . . . . . 26.0 mmt -117.64 157.06 27.1 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.154 -179.202 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? 62.17 55.08 2.52 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.373 0.606 . . . . 0.0 110.477 -177.255 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 59.7 mtpt -80.62 -24.07 39.33 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.689 178.364 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 ptp180 -70.87 -4.04 22.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.269 -0.878 . . . . 0.0 111.765 -177.872 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.0 m -76.54 -27.57 55.98 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.218 0.532 . . . . 0.0 110.261 176.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 91.8 m-85 -113.08 137.46 51.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.012 -176.169 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 16.2 t -58.25 127.25 31.16 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.639 -177.596 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' THR . . . . . . . . . . . . . 59.4 m -67.62 -30.49 70.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.209 -178.762 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.551 ' CE1' ' HB2' ' A' ' 39' ' ' CYS . 7.4 m-85 -84.13 -7.12 59.46 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.192 0.52 . . . . 0.0 111.23 -179.068 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 7.0 m -99.95 133.34 21.7 Favored Pre-proline 0 C--N 1.318 -0.762 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.028 175.09 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.425 ' HB2' HG12 ' A' ' 15' ' ' ILE . 36.3 Cg_exo -55.16 141.62 79.69 Favored 'Trans proline' 0 N--CA 1.462 -0.332 0 C-N-CA 122.488 2.125 . . . . 0.0 110.92 175.134 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 32.8 t -60.28 -23.73 64.37 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.889 -0.596 . . . . 0.0 112.124 -171.04 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -82.42 -9.42 59.45 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.744 0.307 . . . . 0.0 111.574 -179.424 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.425 HG12 ' HB2' ' A' ' 12' ' ' PRO . 50.3 mm -81.01 -27.77 10.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 121.367 0.603 . . . . 0.0 110.174 178.317 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 55.67 31.92 18.31 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 114.813 -1.085 . . . . 0.0 111.617 178.624 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.1 tpt180 -78.84 118.6 21.03 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.486 -0.779 . . . . 0.0 109.652 179.423 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.422 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 12.1 mptt -72.82 149.48 43.55 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.218 -176.787 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.463 ' CB ' ' HB ' ' A' ' 29' ' ' VAL . . . -90.13 139.46 30.61 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.311 -178.122 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -102.78 -25.31 13.57 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.092 0.472 . . . . 0.0 110.454 -178.689 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.76 162.93 31.4 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.719 -176.533 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.3 m -127.27 133.27 50.19 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.304 -179.941 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 47.4 t -71.6 109.4 5.51 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.086 -0.506 . . . . 0.0 109.93 178.8 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 60.1 tptt -58.42 -25.89 62.66 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 122.831 0.452 . . . . 0.0 111.82 -175.916 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -75.93 -36.29 59.42 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.503 0.557 . . . . 0.0 112.503 -175.249 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 32.0 p -127.14 -3.26 6.34 Favored 'General case' 0 N--CA 1.465 0.291 0 C-N-CA 120.134 -0.627 . . . . 0.0 112.288 -174.852 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 73.0 mmtt 67.75 13.79 9.31 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 123.091 0.557 . . . . 0.0 112.421 179.649 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -85.63 142.75 28.86 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.431 -0.581 . . . . 0.0 109.431 174.383 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.463 ' HB ' ' CB ' ' A' ' 19' ' ' ALA . 22.2 m -98.08 149.2 5.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.752 0 CA-C-O 121.25 0.548 . . . . 0.0 112.076 -171.746 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.616 HD12 ' HA ' ' A' ' 35' ' ' ASN . 2.1 pt -139.87 147.63 23.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.991 -176.042 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 23.7 p -83.97 174.11 10.61 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.761 -176.612 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' ARG . . . . . 0.489 ' HA ' ' OD1' ' A' ' 35' ' ' ASN . 55.0 ttp180 -56.73 -44.01 81.2 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 111.991 0.367 . . . . 0.0 111.991 -175.364 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 pm0 -83.77 8.21 15.37 Favored 'General case' 0 C--N 1.321 -0.67 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.583 -179.344 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 30.6 m170 -130.91 7.85 4.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.678 -0.237 . . . . 0.0 111.396 176.093 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.616 ' HA ' HD12 ' A' ' 30' ' ' ILE . 1.1 p-10 -104.01 126.8 51.41 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.853 0.835 . . . . 0.0 112.342 -173.537 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . . . . . . . . . 8.8 mt -110.42 13.64 8.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 114.336 -1.302 . . . . 0.0 107.691 168.037 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 60.62 21.38 11.25 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 114.613 -1.176 . . . . 0.0 108.754 -164.911 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' MET . . . . . . . . . . . . . 52.2 ttm -170.48 135.56 1.22 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 113.324 -1.762 . . . . 0.0 106.95 -179.839 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.551 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 1.5 p -83.75 152.67 24.55 Favored 'General case' 0 C--N 1.314 -0.936 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 -177.323 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -58.38 -21.46 50.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.19 -0.914 . . . . 0.0 112.388 -171.851 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 28.3 t -79.68 -18.15 52.0 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.69 0.281 . . . . 0.0 111.067 -179.479 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 64.3 m -109.32 -12.15 14.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.587 0.232 . . . . 0.0 110.859 178.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.613 -0.708 . . . . 0.0 110.243 -177.333 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_