data_2ayk_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 2ayk _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.131 0 CA-C-O 121.273 0.447 . . . . 3.28 112.219 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.433 HH11 ' CG2' ' A' ' 159' ' ' ILE . 38.0 mtt180 -146.03 161.37 40.26 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.35 -0.844 . . . . 4.19 109.191 -179.085 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -66.04 126.52 28.85 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.066 -1.022 . . . . 0.7 109.179 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -80.68 -17.62 50.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.296 -0.878 . . . . 2.11 109.527 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -85.66 153.94 22.01 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.258 -0.901 . . . . 2.6 109.649 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.461 ' C ' ' HD1' ' A' ' 13' ' ' HIS . 35.6 p -93.76 -4.37 50.45 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.285 -0.884 . . . . 1.23 109.612 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.512 ' CD2' ' OG1' ' A' ' 48' ' ' THR . 4.0 m80 -126.19 144.66 50.68 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 109.0 -0.741 . . . . 2.12 109.0 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.3 mt -137.78 163.88 30.28 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.353 -0.842 . . . . 1.19 109.121 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 49.5 p -130.99 162.06 30.59 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.393 -0.817 . . . . 1.11 109.886 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -146.55 152.94 39.76 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.252 -0.905 . . . . 1.02 110.225 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.9 ttt180 -143.26 138.31 29.51 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.421 -0.8 . . . . 3.37 109.51 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.4 mt -95.07 126.7 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 108.406 -0.961 . . . . 1.12 108.406 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -68.58 -40.19 80.64 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.167 -0.958 . . . . 2.22 109.769 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.501 ' C ' ' OD1' ' A' ' 20' ' ' ASN . 5.8 p30 -165.47 164.56 19.48 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.127 -0.983 . . . . 2.53 109.563 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -106.08 132.01 52.67 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.874 -0.787 . . . . 1.01 108.874 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 t -73.87 139.46 76.85 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.246 -0.909 . . . . 1.15 109.392 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -62.87 0.45 1.56 Allowed 'Trans proline' 0 N--CA 1.492 1.42 0 CA-C-N 119.648 0.91 . . . . 0.68 112.756 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -63.52 -39.99 95.86 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.014 -1.054 . . . . 1.21 109.239 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.1 mt -142.81 151.25 56.15 Favored Pre-proline 0 N--CA 1.497 1.915 0 O-C-N 121.354 -0.841 . . . . 1.18 109.325 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -60.08 146.24 96.58 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 120.69 0.927 . . . . 0.4 112.578 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -61.2 -35.1 76.26 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.35 -0.844 . . . . 3.33 109.979 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.95 -37.31 68.82 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.215 -0.928 . . . . 1.12 109.032 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 -80.79 -32.6 35.31 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.274 -0.891 . . . . 1.26 110.005 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.1 t -71.82 -50.01 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.98 -1.075 . . . . 1.12 109.878 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -51.87 -44.53 63.74 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.083 -1.01 . . . . 2.13 109.302 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -59.93 -50.03 75.34 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 119.217 -0.993 . . . . 0.99 109.063 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.91 -46.64 74.88 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.086 -1.009 . . . . 1.07 109.424 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.0 mm -68.0 -48.85 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.011 -1.056 . . . . 1.12 109.929 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.16 -39.89 87.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.09 -1.006 . . . . 1.61 109.314 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -60.3 -40.04 89.13 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.347 -0.845 . . . . 2.71 109.007 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.65 -47.47 75.45 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.905 -1.122 . . . . 1.05 110.019 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -59.9 -42.07 93.03 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.977 -1.077 . . . . 0.55 109.556 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -62.76 -40.27 96.75 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.171 -0.956 . . . . 2.51 109.562 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 81.8 mt -59.99 -40.0 87.66 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.093 -1.005 . . . . 1.08 108.836 179.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.442 ' O ' ' OG1' ' A' ' 45' ' ' THR . 70.0 m95 -72.07 -48.09 46.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.087 -1.008 . . . . 0.34 109.769 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 47' ' ' LEU . 22.7 t -68.17 -33.43 74.44 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.193 -0.942 . . . . 1.0 109.625 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -55.36 -19.92 10.35 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.296 -0.878 . . . . 1.8 110.097 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.0 m -122.42 5.91 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.49 -0.756 . . . . 1.14 110.394 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 41' ' ' TRP . 18.9 p -138.34 142.97 36.89 Favored Pre-proline 0 N--CA 1.496 1.868 0 O-C-N 121.412 -0.805 . . . . 1.14 109.438 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -65.91 7.96 0.31 Allowed 'Trans proline' 0 N--CA 1.49 1.274 0 CA-C-N 119.531 0.868 . . . . 0.35 112.357 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.438 ' H ' ' C ' ' A' ' 45' ' ' THR . 23.0 mt -76.99 153.03 34.94 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.099 -1.001 . . . . 1.09 109.183 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.512 ' OG1' ' CD2' ' A' ' 13' ' ' HIS . 76.8 p -129.93 140.64 50.91 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 109.217 -0.66 . . . . 1.11 109.217 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -119.3 128.98 54.64 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.651 -0.656 . . . . 0.33 109.772 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.2 m -120.01 129.99 54.52 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 121.55 0.69 . . . . 1.14 109.787 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -79.4 143.4 35.08 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.312 -0.868 . . . . 2.53 108.961 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.6 m -126.57 136.07 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 108.959 -0.756 . . . . 1.21 108.959 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.8 t -95.47 0.04 52.81 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.222 -0.924 . . . . 1.19 109.109 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -151.61 161.3 42.91 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.548 -0.72 . . . . 2.33 109.92 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.12 177.33 50.7 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.9 -1.28 . . . . 0.72 109.9 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -81.21 168.33 18.63 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.425 -1.044 . . . . 2.99 109.445 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.29 135.8 39.25 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 109.126 -0.694 . . . . 1.06 109.126 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -50.79 -30.84 15.19 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.158 -0.964 . . . . 1.23 108.927 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.4 mt -127.77 111.73 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 N-CA-C 108.81 -0.811 . . . . 1.08 108.81 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 62.9 mmm -97.84 126.37 43.17 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.359 -0.978 . . . . 1.36 108.359 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.4 mt -110.03 130.0 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 N-CA-C 108.814 -0.81 . . . . 1.12 108.814 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.5 p -148.18 163.97 35.35 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.293 -0.879 . . . . 0.93 109.482 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -114.5 133.22 55.93 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 109.647 -0.501 . . . . 0.3 109.647 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.8 m -131.01 163.66 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.485 -0.759 . . . . 1.09 110.006 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -126.91 150.03 49.5 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.572 -0.705 . . . . 3.69 110.521 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 42.54 -146.83 0.72 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.136 -1.186 . . . . 0.47 110.136 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -70.04 130.99 43.63 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.361 -1.082 . . . . 1.22 109.108 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 -132.57 57.12 1.81 Allowed 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 121.404 0.621 . . . . 0.68 109.742 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 58.24 49.93 10.48 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.857 -0.527 . . . . 3.74 109.907 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -141.93 162.87 34.4 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.372 -0.83 . . . . 2.27 109.952 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -91.44 9.42 31.87 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.376 -0.828 . . . . 2.97 109.536 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 m -130.96 62.95 68.54 Favored Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.66 -0.65 . . . . 2.03 109.511 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -60.9 148.55 92.09 Favored 'Trans proline' 0 C--N 1.316 -1.17 0 C-N-CA 121.062 1.175 . . . . 0.66 112.275 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -78.34 129.96 35.61 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.217 -0.927 . . . . 0.62 109.015 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -102.56 66.01 0.95 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.522 -0.736 . . . . 1.56 109.696 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.89 -175.38 55.07 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.282 -1.527 . . . . 0.81 109.282 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -64.01 1.01 1.71 Allowed 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 121.294 1.33 . . . . 1.08 112.453 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.28 172.71 30.73 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.123 -1.591 . . . . 0.76 109.123 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.96 -163.74 43.9 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.246 -1.542 . . . . 0.71 109.246 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -71.66 151.0 44.06 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.185 -1.185 . . . . 1.88 109.678 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.0 mt -93.85 -1.9 54.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.268 -0.895 . . . . 1.18 109.692 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -178.32 175.34 1.19 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.006 -1.059 . . . . 1.07 109.539 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -168.6 169.51 10.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.08 -1.013 . . . . 1.55 109.918 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -148.06 165.75 29.86 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.419 -0.801 . . . . 1.08 109.283 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -97.84 159.39 14.96 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.445 -0.785 . . . . 0.49 109.115 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -60.06 149.99 72.14 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 120.89 -1.131 . . . . 3.05 109.468 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -60.64 97.44 0.12 Allowed 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 120.863 1.042 . . . . 0.5 112.536 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -157.34 168.19 34.11 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.577 -1.409 . . . . 0.56 109.577 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -61.12 176.81 0.89 Allowed 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 121.038 1.158 . . . . 0.76 112.099 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.36 -125.34 17.66 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.781 -1.328 . . . . 0.55 109.781 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.1 tt -85.02 -8.57 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.16 -1.2 . . . . 1.19 110.092 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -59.99 142.18 47.53 Favored Glycine 0 N--CA 1.495 2.624 0 O-C-N 121.044 -1.035 . . . . 0.33 110.669 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.36 -18.63 44.53 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.913 -1.275 . . . . 0.36 109.913 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -65.57 157.27 30.19 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.239 -1.153 . . . . 1.17 110.214 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -137.78 122.31 18.46 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 109.256 -0.646 . . . . 1.09 109.256 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -107.67 140.58 40.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.721 -0.612 . . . . 0.42 109.706 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.546 ' CE2' ' OE2' ' A' ' 119' ' ' GLU . 35.3 m-85 -115.43 138.15 51.3 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.328 0.585 . . . . 0.39 110.669 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -69.03 96.11 0.76 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.515 -0.741 . . . . 0.42 109.048 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -74.3 -3.32 29.44 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.321 -0.862 . . . . 1.71 110.581 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -76.74 -21.0 55.88 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.619 -1.301 . . . . 1.25 109.474 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -89.98 165.76 13.86 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.303 -0.873 . . . . 1.61 110.178 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -92.99 115.38 28.07 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.47 -0.769 . . . . 3.81 109.413 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -90.91 136.78 32.85 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.468 -0.77 . . . . 0.43 109.035 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' THR . . . . . 0.579 ' OG1' ' O ' ' A' ' 110' ' ' TYR . 63.3 p -127.62 170.01 13.13 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.543 -0.723 . . . . 1.16 109.094 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -113.68 21.71 14.76 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.691 -0.631 . . . . 2.11 110.784 -179.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -147.83 -166.27 2.48 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 119.257 -0.977 . . . . 1.83 109.026 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.459 ' O ' ' O ' ' A' ' 108' ' ' ARG . 0.7 OUTLIER -72.48 19.98 0.07 Allowed 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.109 -0.994 . . . . 5.1 112.486 -177.294 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.572 ' HB2' ' HG1' ' A' ' 104' ' ' THR . 8.7 mtt180 -60.27 -153.84 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.579 -1.326 . . . . 3.23 108.279 178.194 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -45.46 -59.51 2.67 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.059 -1.026 . . . . 1.85 110.662 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' TYR . . . . . 0.579 ' O ' ' OG1' ' A' ' 104' ' ' THR . 89.4 m-85 -138.43 158.53 44.09 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.172 -0.955 . . . . 0.9 109.811 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -109.57 119.97 41.06 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 108.207 -1.034 . . . . 2.65 108.207 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.5 tp -59.89 -42.24 93.37 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.972 -1.08 . . . . 1.14 110.034 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -60.02 -40.05 87.96 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.042 -1.036 . . . . 1.45 110.023 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.519 ' NH2' ' OG ' ' A' ' 143' ' ' SER . 2.9 mtt-85 -58.07 -48.33 80.45 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.793 -1.192 . . . . 3.83 109.482 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 82.9 t -69.58 -39.97 78.99 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 108.91 -0.774 . . . . 1.15 108.91 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.86 -49.67 74.78 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.245 -0.909 . . . . 1.06 109.371 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.68 -40.13 82.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.166 -0.959 . . . . 1.09 109.215 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -60.01 -49.97 75.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.4 -0.812 . . . . 0.58 109.53 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.546 ' OE2' ' CE2' ' A' ' 97' ' ' PHE . 44.6 mt-10 -62.85 -39.91 95.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.312 -0.868 . . . . 1.94 109.702 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LEU . . . . . . . . . . . . . 85.7 mt -62.67 -36.32 82.51 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.011 -1.056 . . . . 1.17 108.928 179.216 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -59.93 -40.02 96.33 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.473 -1.451 . . . . 0.34 109.473 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -66.79 -39.95 87.95 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.109 -1.23 . . . . 0.66 109.575 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.0 p -62.81 -25.38 68.22 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.236 -0.915 . . . . 1.75 109.35 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 96.1 mt -83.55 -4.2 58.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.262 -0.899 . . . . 1.1 109.212 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 90.29 12.3 61.68 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.248 -1.141 . . . . 0.43 110.248 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 80.7 mt -79.58 153.0 29.77 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.075 -1.25 . . . . 1.13 109.367 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 45.3 m -115.59 160.95 19.32 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-O 121.61 0.719 . . . . 1.15 110.15 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -56.39 170.67 0.34 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.486 -0.759 . . . . 1.57 110.016 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.7 t -151.06 163.94 37.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.384 -0.822 . . . . 1.17 109.553 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.4 p -98.09 9.99 41.54 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.438 -0.789 . . . . 1.31 109.853 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -83.28 120.36 25.73 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.174 -0.954 . . . . 1.33 109.22 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 25.7 mt -60.0 -38.36 76.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 120.524 -1.36 . . . . 1.88 109.299 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -71.74 5.44 11.88 Favored Glycine 0 N--CA 1.491 2.354 0 C-N-CA 120.051 -1.071 . . . . 0.65 110.801 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -96.65 133.73 40.8 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.927 -1.337 . . . . 1.14 109.137 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.507 ' C ' ' H ' ' A' ' 137' ' ' TYR . 31.8 mt -70.24 -25.05 63.2 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.073 -1.017 . . . . 1.19 108.942 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 96.1 mmm -72.7 16.37 0.15 Allowed 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.346 -0.846 . . . . 1.24 109.143 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' TYR . . . . . 0.507 ' H ' ' C ' ' A' ' 135' ' ' LEU . 16.9 t80 -65.66 135.32 95.59 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.172 -0.955 . . . . 1.23 109.435 -179.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -59.4 -41.29 59.49 Favored 'Trans proline' 0 N--CA 1.492 1.409 0 CA-C-N 119.637 0.906 . . . . 1.07 113.203 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.16 139.49 31.64 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.043 -1.035 . . . . 2.17 110.03 -179.138 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -69.77 143.94 52.84 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.954 -1.091 . . . . 1.17 109.46 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 34.7 p -152.2 135.96 16.27 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.144 -0.972 . . . . 1.57 109.438 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -84.11 117.02 23.18 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.062 -1.024 . . . . 2.89 109.874 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.545 ' O ' ' C ' ' A' ' 144' ' ' GLY . 89.2 p -111.05 116.17 30.69 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.463 -1.31 . . . . 2.31 107.463 178.127 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 143' ' ' SER . . . -21.94 -81.75 0.01 OUTLIER Glycine 0 N--CA 1.507 3.39 0 N-CA-C 111.219 -0.752 . . . . 1.5 111.219 -178.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -98.23 147.87 24.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.293 -1.122 . . . . 2.39 108.518 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 93.0 t -94.35 107.05 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.203 -0.936 . . . . 1.34 109.123 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -132.16 159.8 37.91 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.845 -0.798 . . . . 2.3 108.845 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 76.6 mt -75.63 158.57 32.23 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.198 -0.939 . . . . 1.15 109.237 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -104.4 158.08 16.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.603 -0.686 . . . . 1.16 109.251 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -60.0 -40.99 91.13 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.199 -0.938 . . . . 1.87 109.501 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -56.51 -37.68 70.77 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.157 -1.053 . . . . 1.17 108.157 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.77 -41.41 44.84 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.43 -0.794 . . . . 1.16 109.756 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 84.2 mt -64.06 -51.43 69.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.816 -1.178 . . . . 1.59 109.964 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.0 -38.16 81.8 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.764 -1.21 . . . . 1.18 109.193 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -62.77 -52.58 47.39 Favored Glycine 0 N--CA 1.491 2.317 0 C-N-CA 120.16 -1.019 . . . . 0.43 110.707 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 9.0 tp -70.0 -37.45 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 120.845 -1.385 . . . . 1.14 109.761 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 161' ' ' GLY . 97.0 mt-30 -67.08 -39.7 86.86 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.908 -1.12 . . . . 1.73 109.271 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -59.4 -39.98 85.12 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.149 -0.97 . . . . 1.17 108.907 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' ILE . . . . . 0.433 ' CG2' HH11 ' A' ' 8' ' ' ARG . 96.5 mt -66.46 -50.55 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.318 -0.863 . . . . 1.16 110.03 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -100.04 -60.56 1.51 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.251 -0.905 . . . . 1.15 109.831 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 157' ' ' GLN . . . 145.85 -171.09 26.92 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.306 -1.518 . . . . 0.49 109.306 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -82.06 157.43 24.14 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.322 -1.105 . . . . 3.99 109.799 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.277 -0.889 . . . . 1.02 109.402 179.683 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 170' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 172' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.131 0 CA-C-O 121.273 0.447 . . . . 2.6200000000000001 112.219 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.931 ' NH1' HG23 ' A' ' 159' ' ' ILE . 38.0 mtt180 -146.03 161.37 40.26 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.35 -0.844 . . . . 3.5099999999999998 109.191 -179.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -66.04 126.52 28.85 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.066 -1.022 . . . . 0.56000000000000005 109.179 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -80.68 -17.62 50.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.296 -0.878 . . . . 2.1099999999999999 109.527 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -85.66 153.94 22.01 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.258 -0.901 . . . . 2.0499999999999998 109.649 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.6 p -93.76 -4.37 50.45 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.285 -0.884 . . . . 0.5 109.612 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.512 ' CD2' ' OG1' ' A' ' 48' ' ' THR . 4.0 m80 -126.19 144.66 50.68 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 109.0 -0.741 . . . . 1.21 109.0 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.3 mt -137.78 163.88 30.28 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.353 -0.842 . . . . 0.44 109.121 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 49.5 p -130.99 162.06 30.59 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.393 -0.817 . . . . 0.31 109.886 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -146.55 152.94 39.76 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.252 -0.905 . . . . 0.46000000000000002 110.225 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.9 ttt180 -143.26 138.31 29.51 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.421 -0.8 . . . . 2.8399999999999999 109.51 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.4 mt -95.07 126.7 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 108.406 -0.961 . . . . 0.37 108.406 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -68.58 -40.19 80.64 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.167 -0.958 . . . . 2.2200000000000002 109.769 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.501 ' C ' ' OD1' ' A' ' 20' ' ' ASN . 5.8 p30 -165.47 164.56 19.48 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.127 -0.983 . . . . 2.2599999999999998 109.563 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -106.08 132.01 52.67 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.874 -0.787 . . . . 0.39000000000000001 108.874 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 t -73.87 139.46 76.85 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.246 -0.909 . . . . 0.56000000000000005 109.392 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -62.87 0.45 1.56 Allowed 'Trans proline' 0 N--CA 1.492 1.42 0 CA-C-N 119.648 0.91 . . . . 0.60999999999999999 112.756 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -63.52 -39.99 95.86 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.014 -1.054 . . . . 1.21 109.239 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.1 mt -142.81 151.25 56.15 Favored Pre-proline 0 N--CA 1.497 1.915 0 O-C-N 121.354 -0.841 . . . . 0.46000000000000002 109.325 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -60.08 146.24 96.58 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 120.69 0.927 . . . . 0.37 112.578 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -61.2 -35.1 76.26 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.35 -0.844 . . . . 2.8300000000000001 109.979 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.95 -37.31 68.82 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.215 -0.928 . . . . 0.46000000000000002 109.032 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.402 ' HB3' ' ND2' ' A' ' 105' ' ' ASN . 38.9 m-20 -80.79 -32.6 35.31 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.274 -0.891 . . . . 1.26 110.005 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.1 t -71.82 -50.01 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.98 -1.075 . . . . 0.34999999999999998 109.878 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -51.87 -44.53 63.74 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.083 -1.01 . . . . 2.1299999999999999 109.302 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -59.93 -50.03 75.34 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 119.217 -0.993 . . . . 0.69999999999999996 109.063 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.91 -46.64 74.88 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.086 -1.009 . . . . 0.31 109.424 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.0 mm -68.0 -48.85 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.011 -1.056 . . . . 0.35999999999999999 109.929 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.16 -39.89 87.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.09 -1.006 . . . . 1.6100000000000001 109.314 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -60.3 -40.04 89.13 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.347 -0.845 . . . . 2.23 109.007 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.65 -47.47 75.45 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.905 -1.122 . . . . 0.25 110.019 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -59.9 -42.07 93.03 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.977 -1.077 . . . . 0.41999999999999998 109.556 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -62.76 -40.27 96.75 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.171 -0.956 . . . . 1.9199999999999999 109.562 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 40' ' ' LEU . 81.8 mt -59.99 -40.0 87.66 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.093 -1.005 . . . . 0.27000000000000002 108.836 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -72.07 -48.09 46.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.087 -1.008 . . . . 0.32000000000000001 109.769 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -68.17 -33.43 74.44 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.193 -0.942 . . . . 0.33000000000000002 109.625 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -55.36 -19.92 10.35 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.296 -0.878 . . . . 1.0700000000000001 110.097 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.0 m -122.42 5.91 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.49 -0.756 . . . . 0.40000000000000002 110.394 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.9 p -138.34 142.97 36.89 Favored Pre-proline 0 N--CA 1.496 1.868 0 O-C-N 121.412 -0.805 . . . . 0.42999999999999999 109.438 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -65.91 7.96 0.31 Allowed 'Trans proline' 0 N--CA 1.49 1.274 0 CA-C-N 119.531 0.868 . . . . 0.31 112.357 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.0 mt -76.99 153.03 34.94 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.099 -1.001 . . . . 0.32000000000000001 109.183 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.512 ' OG1' ' CD2' ' A' ' 13' ' ' HIS . 76.8 p -129.93 140.64 50.91 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 109.217 -0.66 . . . . 0.34000000000000002 109.217 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -119.3 128.98 54.64 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.651 -0.656 . . . . 0.32000000000000001 109.772 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.2 m -120.01 129.99 54.52 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 121.55 0.69 . . . . 0.41999999999999998 109.787 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -79.4 143.4 35.08 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.312 -0.868 . . . . 2.0 108.961 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.6 m -126.57 136.07 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 108.959 -0.756 . . . . 0.44 108.959 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.8 t -95.47 0.04 52.81 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.222 -0.924 . . . . 0.79000000000000004 109.109 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -151.61 161.3 42.91 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.548 -0.72 . . . . 2.3300000000000001 109.92 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.12 177.33 50.7 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.9 -1.28 . . . . 0.64000000000000001 109.9 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -81.21 168.33 18.63 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.425 -1.044 . . . . 2.4900000000000002 109.445 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.29 135.8 39.25 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 109.126 -0.694 . . . . 0.34999999999999998 109.126 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -50.79 -30.84 15.19 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.158 -0.964 . . . . 1.23 108.927 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.4 mt -127.77 111.73 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 N-CA-C 108.81 -0.811 . . . . 0.31 108.81 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 62.9 mmm -97.84 126.37 43.17 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.359 -0.978 . . . . 1.2 108.359 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.4 mt -110.03 130.0 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 N-CA-C 108.814 -0.81 . . . . 0.34000000000000002 108.814 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.5 p -148.18 163.97 35.35 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.293 -0.879 . . . . 0.26000000000000001 109.482 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -114.5 133.22 55.93 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 109.647 -0.501 . . . . 0.27000000000000002 109.647 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.8 m -131.01 163.66 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.485 -0.759 . . . . 0.33000000000000002 110.006 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -126.91 150.03 49.5 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.572 -0.705 . . . . 3.1400000000000001 110.521 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 42.54 -146.83 0.72 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.136 -1.186 . . . . 0.40999999999999998 110.136 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -70.04 130.99 43.63 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.361 -1.082 . . . . 1.22 109.108 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 -132.57 57.12 1.81 Allowed 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 121.404 0.621 . . . . 0.65000000000000002 109.742 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 58.24 49.93 10.48 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.857 -0.527 . . . . 3.1600000000000001 109.907 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -141.93 162.87 34.4 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.372 -0.83 . . . . 2.27 109.952 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -91.44 9.42 31.87 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.376 -0.828 . . . . 2.4199999999999999 109.536 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 m -130.96 62.95 68.54 Favored Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.66 -0.65 . . . . 1.46 109.511 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -60.9 148.55 92.09 Favored 'Trans proline' 0 C--N 1.316 -1.17 0 C-N-CA 121.062 1.175 . . . . 0.59999999999999998 112.275 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -78.34 129.96 35.61 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.217 -0.927 . . . . 0.54000000000000004 109.015 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -102.56 66.01 0.95 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.522 -0.736 . . . . 1.5600000000000001 109.696 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.89 -175.38 55.07 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.282 -1.527 . . . . 0.68000000000000005 109.282 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -64.01 1.01 1.71 Allowed 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 121.294 1.33 . . . . 0.96999999999999997 112.453 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.28 172.71 30.73 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.123 -1.591 . . . . 0.68000000000000005 109.123 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.96 -163.74 43.9 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.246 -1.542 . . . . 0.64000000000000001 109.246 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -71.66 151.0 44.06 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.185 -1.185 . . . . 1.2 109.678 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.0 mt -93.85 -1.9 54.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.268 -0.895 . . . . 0.52000000000000002 109.692 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -178.32 175.34 1.19 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.006 -1.059 . . . . 0.39000000000000001 109.539 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -168.6 169.51 10.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.08 -1.013 . . . . 0.93999999999999995 109.918 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -148.06 165.75 29.86 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.419 -0.801 . . . . 0.32000000000000001 109.283 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -97.84 159.39 14.96 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.445 -0.785 . . . . 0.42999999999999999 109.115 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -60.06 149.99 72.14 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 120.89 -1.131 . . . . 2.2599999999999998 109.468 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -60.64 97.44 0.12 Allowed 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 120.863 1.042 . . . . 0.5 112.536 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -157.34 168.19 34.11 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.577 -1.409 . . . . 0.48999999999999999 109.577 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -61.12 176.81 0.89 Allowed 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 121.038 1.158 . . . . 0.68000000000000005 112.099 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.36 -125.34 17.66 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.781 -1.328 . . . . 0.5 109.781 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.1 tt -85.02 -8.57 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.16 -1.2 . . . . 0.46999999999999997 110.092 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -59.99 142.18 47.53 Favored Glycine 0 N--CA 1.495 2.624 0 O-C-N 121.044 -1.035 . . . . 0.31 110.669 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.36 -18.63 44.53 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.913 -1.275 . . . . 0.32000000000000001 109.913 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -65.57 157.27 30.19 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.239 -1.153 . . . . 1.1699999999999999 110.214 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -137.78 122.31 18.46 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 109.256 -0.646 . . . . 0.34000000000000002 109.256 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -107.67 140.58 40.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.721 -0.612 . . . . 0.34000000000000002 109.706 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.546 ' CE2' ' OE2' ' A' ' 119' ' ' GLU . 35.3 m-85 -115.43 138.15 51.3 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.328 0.585 . . . . 0.31 110.669 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -69.03 96.11 0.76 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.515 -0.741 . . . . 0.41999999999999998 109.048 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -74.3 -3.32 29.44 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.321 -0.862 . . . . 1.71 110.581 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -76.74 -21.0 55.88 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.619 -1.301 . . . . 1.25 109.474 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -89.98 165.76 13.86 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.303 -0.873 . . . . 1.6100000000000001 110.178 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -92.99 115.38 28.07 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.47 -0.769 . . . . 3.27 109.413 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -90.91 136.78 32.85 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.468 -0.77 . . . . 0.37 109.035 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' THR . . . . . 0.579 ' OG1' ' O ' ' A' ' 110' ' ' TYR . 63.3 p -127.62 170.01 13.13 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.543 -0.723 . . . . 0.47999999999999998 109.094 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.402 ' ND2' ' HB3' ' A' ' 29' ' ' ASP . 97.2 m-20 -113.68 21.71 14.76 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.691 -0.631 . . . . 1.3799999999999999 110.784 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -147.83 -166.27 2.48 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 119.257 -0.977 . . . . 1.3600000000000001 109.026 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.459 ' O ' ' O ' ' A' ' 108' ' ' ARG . 0.7 OUTLIER -72.48 19.98 0.07 Allowed 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.109 -0.994 . . . . 4.1699999999999999 112.486 -177.294 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 107' ' ' PHE . 8.7 mtt180 -60.27 -153.84 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.579 -1.326 . . . . 2.52 108.279 178.194 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -45.46 -59.51 2.67 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.059 -1.026 . . . . 1.8500000000000001 110.662 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' TYR . . . . . 0.579 ' O ' ' OG1' ' A' ' 104' ' ' THR . 89.4 m-85 -138.43 158.53 44.09 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.172 -0.955 . . . . 0.56000000000000005 109.811 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -109.57 119.97 41.06 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 108.207 -1.034 . . . . 2.0699999999999998 108.207 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.5 tp -59.89 -42.24 93.37 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.972 -1.08 . . . . 0.40999999999999998 110.034 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -60.02 -40.05 87.96 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.042 -1.036 . . . . 0.90000000000000002 110.023 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.519 ' NH2' ' OG ' ' A' ' 143' ' ' SER . 2.9 mtt-85 -58.07 -48.33 80.45 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.793 -1.192 . . . . 3.3599999999999999 109.482 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 82.9 t -69.58 -39.97 78.99 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 108.91 -0.774 . . . . 0.41999999999999998 108.91 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.86 -49.67 74.78 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.245 -0.909 . . . . 0.28000000000000003 109.371 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.68 -40.13 82.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.166 -0.959 . . . . 0.28999999999999998 109.215 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -60.01 -49.97 75.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.4 -0.812 . . . . 0.42999999999999999 109.53 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.546 ' OE2' ' CE2' ' A' ' 97' ' ' PHE . 44.6 mt-10 -62.85 -39.91 95.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.312 -0.868 . . . . 1.9399999999999999 109.702 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 120' ' ' LEU . 85.7 mt -62.67 -36.32 82.51 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.011 -1.056 . . . . 0.40000000000000002 108.928 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -59.93 -40.02 96.33 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.473 -1.451 . . . . 0.33000000000000002 109.473 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -66.79 -39.95 87.95 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.109 -1.23 . . . . 0.52000000000000002 109.575 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.0 p -62.81 -25.38 68.22 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.236 -0.915 . . . . 1.3 109.35 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 96.1 mt -83.55 -4.2 58.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.262 -0.899 . . . . 0.35999999999999999 109.212 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 90.29 12.3 61.68 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.248 -1.141 . . . . 0.42999999999999999 110.248 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 80.7 mt -79.58 153.0 29.77 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.075 -1.25 . . . . 0.42999999999999999 109.367 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 45.3 m -115.59 160.95 19.32 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-O 121.61 0.719 . . . . 0.63 110.15 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -56.39 170.67 0.34 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.486 -0.759 . . . . 1.0800000000000001 110.016 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.7 t -151.06 163.94 37.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.384 -0.822 . . . . 0.63 109.553 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.4 p -98.09 9.99 41.54 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.438 -0.789 . . . . 0.76000000000000001 109.853 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -83.28 120.36 25.73 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.174 -0.954 . . . . 1.3300000000000001 109.22 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 25.7 mt -60.0 -38.36 76.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 120.524 -1.36 . . . . 1.3400000000000001 109.299 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -71.74 5.44 11.88 Favored Glycine 0 N--CA 1.491 2.354 0 C-N-CA 120.051 -1.071 . . . . 0.59999999999999998 110.801 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -96.65 133.73 40.8 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.927 -1.337 . . . . 0.5 109.137 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.464 ' C ' ' H ' ' A' ' 137' ' ' TYR . 31.8 mt -70.24 -25.05 63.2 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.073 -1.017 . . . . 0.51000000000000001 108.942 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 96.1 mmm -72.7 16.37 0.15 Allowed 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.346 -0.846 . . . . 1.1599999999999999 109.143 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' TYR . . . . . 0.464 ' H ' ' C ' ' A' ' 135' ' ' LEU . 16.9 t80 -65.66 135.32 95.59 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.172 -0.955 . . . . 0.80000000000000004 109.435 -179.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -59.4 -41.29 59.49 Favored 'Trans proline' 0 N--CA 1.492 1.409 0 CA-C-N 119.637 0.906 . . . . 1.0700000000000001 113.203 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.16 139.49 31.64 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.043 -1.035 . . . . 1.74 110.03 -179.138 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -69.77 143.94 52.84 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.954 -1.091 . . . . 0.78000000000000003 109.46 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 34.7 p -152.2 135.96 16.27 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.144 -0.972 . . . . 1.02 109.438 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -84.11 117.02 23.18 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.062 -1.024 . . . . 2.0899999999999999 109.874 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.545 ' O ' ' C ' ' A' ' 144' ' ' GLY . 89.2 p -111.05 116.17 30.69 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.463 -1.31 . . . . 2.0699999999999998 107.463 178.127 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 143' ' ' SER . . . -21.94 -81.75 0.01 OUTLIER Glycine 0 N--CA 1.507 3.39 0 N-CA-C 111.219 -0.752 . . . . 1.4199999999999999 111.219 -178.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -98.23 147.87 24.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.293 -1.122 . . . . 2.3900000000000001 108.518 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 93.0 t -94.35 107.05 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.203 -0.936 . . . . 0.78000000000000003 109.123 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -132.16 159.8 37.91 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.845 -0.798 . . . . 1.76 108.845 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 76.6 mt -75.63 158.57 32.23 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.198 -0.939 . . . . 0.40000000000000002 109.237 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -104.4 158.08 16.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.603 -0.686 . . . . 0.40000000000000002 109.251 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -60.0 -40.99 91.13 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.199 -0.938 . . . . 1.46 109.501 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -56.51 -37.68 70.77 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.157 -1.053 . . . . 1.1699999999999999 108.157 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.77 -41.41 44.84 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.43 -0.794 . . . . 1.1599999999999999 109.756 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 84.2 mt -64.06 -51.43 69.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.816 -1.178 . . . . 0.88 109.964 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.0 -38.16 81.8 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.764 -1.21 . . . . 1.1799999999999999 109.193 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -62.77 -52.58 47.39 Favored Glycine 0 N--CA 1.491 2.317 0 C-N-CA 120.16 -1.019 . . . . 0.39000000000000001 110.707 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 9.0 tp -70.0 -37.45 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 120.845 -1.385 . . . . 0.34999999999999998 109.761 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 161' ' ' GLY . 97.0 mt-30 -67.08 -39.7 86.86 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.908 -1.12 . . . . 1.2 109.271 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -59.4 -39.98 85.12 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.149 -0.97 . . . . 0.47999999999999998 108.907 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' ILE . . . . . 0.931 HG23 ' NH1' ' A' ' 8' ' ' ARG . 96.5 mt -66.46 -50.55 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.318 -0.863 . . . . 0.47999999999999998 110.03 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -100.04 -60.56 1.51 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.251 -0.905 . . . . 0.54000000000000004 109.831 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 157' ' ' GLN . . . 145.85 -171.09 26.92 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.306 -1.518 . . . . 0.45000000000000001 109.306 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -82.06 157.43 24.14 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.322 -1.105 . . . . 3.4100000000000001 109.799 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.277 -0.889 . . . . 0.95999999999999996 109.402 179.683 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 170' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 172' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo . . . . . 0 N--CA 1.487 1.131 0 CA-C-O 121.273 0.447 . . . . 2.62 112.219 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.931 ' NH1' HG23 ' A' ' 159' ' ' ILE . 38.0 mtt180 -146.03 161.37 40.26 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.35 -0.844 . . . . 3.51 109.191 -179.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -66.04 126.52 28.85 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.066 -1.022 . . . . 0.56 109.179 -179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -80.68 -17.62 50.57 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.296 -0.878 . . . . 2.11 109.527 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 91.2 mt-30 -85.66 153.94 22.01 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.258 -0.901 . . . . 2.05 109.649 -179.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 35.6 p -93.76 -4.37 50.45 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.285 -0.884 . . . . 0.5 109.612 179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.512 ' CD2' ' OG1' ' A' ' 48' ' ' THR . 4.0 m80 -126.19 144.66 50.68 Favored 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 109.0 -0.741 . . . . 1.21 109.0 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 44.3 mt -137.78 163.88 30.28 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.353 -0.842 . . . . 0.44 109.121 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 49.5 p -130.99 162.06 30.59 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.393 -0.817 . . . . 0.31 109.886 -178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' TYR . . . . . . . . . . . . . 53.0 p90 -146.55 152.94 39.76 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.252 -0.905 . . . . 0.46 110.225 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 55.9 ttt180 -143.26 138.31 29.51 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.421 -0.8 . . . . 2.84 109.51 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 69.4 mt -95.07 126.7 47.45 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 N-CA-C 108.406 -0.961 . . . . 0.37 108.406 178.347 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -68.58 -40.19 80.64 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.167 -0.958 . . . . 2.22 109.769 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.501 ' OD1' ' C ' ' A' ' 20' ' ' ASN . 5.8 p30 -165.47 164.56 19.48 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.127 -0.983 . . . . 2.26 109.563 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 96.3 m-85 -106.08 132.01 52.67 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.874 -0.787 . . . . 0.39 108.874 179.291 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.2 t -73.87 139.46 76.85 Favored Pre-proline 0 N--CA 1.49 1.571 0 O-C-N 121.246 -0.909 . . . . 0.56 109.392 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 1.5 Cg_endo -62.87 0.45 1.56 Allowed 'Trans proline' 0 N--CA 1.492 1.42 0 CA-C-N 119.648 0.91 . . . . 0.61 112.756 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -63.52 -39.99 95.86 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.014 -1.054 . . . . 1.21 109.239 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 32.1 mt -142.81 151.25 56.15 Favored Pre-proline 0 N--CA 1.497 1.915 0 O-C-N 121.354 -0.841 . . . . 0.46 109.325 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -60.08 146.24 96.58 Favored 'Trans proline' 0 N--CA 1.492 1.415 0 C-N-CA 120.69 0.927 . . . . 0.37 112.578 178.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 32.3 ptt180 -61.2 -35.1 76.26 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.35 -0.844 . . . . 2.83 109.979 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -55.95 -37.31 68.82 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.215 -0.928 . . . . 0.46 109.032 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.402 ' HB3' ' ND2' ' A' ' 105' ' ' ASN . 38.9 m-20 -80.79 -32.6 35.31 Favored 'General case' 0 C--N 1.302 -1.469 0 O-C-N 121.274 -0.891 . . . . 1.26 110.005 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 91.1 t -71.82 -50.01 41.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.98 -1.075 . . . . 0.35 109.878 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -51.87 -44.53 63.74 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.083 -1.01 . . . . 2.13 109.302 -179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -59.93 -50.03 75.34 Favored 'General case' 0 C--N 1.3 -1.547 0 C-N-CA 119.217 -0.993 . . . . 0.7 109.063 179.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.91 -46.64 74.88 Favored 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.086 -1.009 . . . . 0.31 109.424 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ILE . . . . . . . . . . . . . 47.0 mm -68.0 -48.85 72.95 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.5 0 O-C-N 121.011 -1.056 . . . . 0.36 109.929 -179.429 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.16 -39.89 87.97 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.09 -1.006 . . . . 1.61 109.314 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -60.3 -40.04 89.13 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.347 -0.845 . . . . 2.23 109.007 -179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.65 -47.47 75.45 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.905 -1.122 . . . . 0.25 110.019 179.375 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PHE . . . . . . . . . . . . . 34.7 m-85 -59.9 -42.07 93.03 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.977 -1.077 . . . . 0.42 109.556 -179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 93.8 mt-30 -62.76 -40.27 96.75 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.171 -0.956 . . . . 1.92 109.562 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.404 HD23 ' HA ' ' A' ' 40' ' ' LEU . 81.8 mt -59.99 -40.0 87.66 Favored 'General case' 0 C--N 1.304 -1.409 0 O-C-N 121.093 -1.005 . . . . 0.27 108.836 179.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 70.0 m95 -72.07 -48.09 46.75 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.087 -1.008 . . . . 0.32 109.769 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 t -68.17 -33.43 74.44 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.193 -0.942 . . . . 0.33 109.625 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -55.36 -19.92 10.35 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.296 -0.878 . . . . 1.07 110.097 -179.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 26.0 m -122.42 5.91 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.49 -0.756 . . . . 0.4 110.394 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 18.9 p -138.34 142.97 36.89 Favored Pre-proline 0 N--CA 1.496 1.868 0 O-C-N 121.412 -0.805 . . . . 0.43 109.438 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 1.3 Cg_endo -65.91 7.96 0.31 Allowed 'Trans proline' 0 N--CA 1.49 1.274 0 CA-C-N 119.531 0.868 . . . . 0.31 112.357 178.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . . . . . . . . . 23.0 mt -76.99 153.03 34.94 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.099 -1.001 . . . . 0.32 109.183 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.512 ' OG1' ' CD2' ' A' ' 13' ' ' HIS . 76.8 p -129.93 140.64 50.91 Favored 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 109.217 -0.66 . . . . 0.34 109.217 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -119.3 128.98 54.64 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.651 -0.656 . . . . 0.32 109.772 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' THR . . . . . . . . . . . . . 94.2 m -120.01 129.99 54.52 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-O 121.55 0.69 . . . . 0.42 109.787 179.715 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 20.4 tttm -79.4 143.4 35.08 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.312 -0.868 . . . . 2.0 108.961 179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 29.6 m -126.57 136.07 61.9 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 108.959 -0.756 . . . . 0.44 108.959 179.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.8 t -95.47 0.04 52.81 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.222 -0.924 . . . . 0.79 109.109 179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -151.61 161.3 42.91 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.548 -0.72 . . . . 2.33 109.92 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 80.12 177.33 50.7 Favored Glycine 0 N--CA 1.491 2.315 0 N-CA-C 109.9 -1.28 . . . . 0.64 109.9 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 94.3 mt-30 -81.21 168.33 18.63 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.425 -1.044 . . . . 2.49 109.445 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -136.29 135.8 39.25 Favored 'General case' 0 C--N 1.302 -1.462 0 N-CA-C 109.126 -0.694 . . . . 0.35 109.126 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -50.79 -30.84 15.19 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 121.158 -0.964 . . . . 1.23 108.927 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 65.4 mt -127.77 111.73 25.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 N-CA-C 108.81 -0.811 . . . . 0.31 108.81 179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' MET . . . . . . . . . . . . . 62.9 mmm -97.84 126.37 43.17 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.359 -0.978 . . . . 1.2 108.359 179.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 59.4 mt -110.03 130.0 63.99 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.639 0 N-CA-C 108.814 -0.81 . . . . 0.34 108.814 179.025 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 26.5 p -148.18 163.97 35.35 Favored 'General case' 0 C--N 1.305 -1.335 0 O-C-N 121.293 -0.879 . . . . 0.26 109.482 -179.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PHE . . . . . . . . . . . . . 80.1 m-85 -114.5 133.22 55.93 Favored 'General case' 0 C--N 1.301 -1.507 0 N-CA-C 109.647 -0.501 . . . . 0.27 109.647 -179.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.8 m -131.01 163.66 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.963 0 O-C-N 121.485 -0.759 . . . . 0.33 110.006 -179.325 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 20.1 mtm180 -126.91 150.03 49.5 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.572 -0.705 . . . . 3.14 110.521 179.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 42.54 -146.83 0.72 Allowed Glycine 0 N--CA 1.492 2.375 0 N-CA-C 110.136 -1.186 . . . . 0.41 110.136 179.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -70.04 130.99 43.63 Favored 'General case' 0 N--CA 1.486 1.362 0 O-C-N 121.361 -1.082 . . . . 1.22 109.108 179.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 23.5 p-80 -132.57 57.12 1.81 Allowed 'General case' 0 N--CA 1.491 1.584 0 CA-C-O 121.404 0.621 . . . . 0.65 109.742 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 47.4 mtt180 58.24 49.93 10.48 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.857 -0.527 . . . . 3.16 109.907 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -141.93 162.87 34.4 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.372 -0.83 . . . . 2.27 109.952 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -91.44 9.42 31.87 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.376 -0.828 . . . . 2.42 109.536 -179.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.4 m -130.96 62.95 68.54 Favored Pre-proline 0 N--CA 1.493 1.724 0 O-C-N 121.66 -0.65 . . . . 1.46 109.511 178.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -60.9 148.55 92.09 Favored 'Trans proline' 0 C--N 1.316 -1.17 0 C-N-CA 121.062 1.175 . . . . 0.6 112.275 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -78.34 129.96 35.61 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.217 -0.927 . . . . 0.54 109.015 179.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 51.7 t0 -102.56 66.01 0.95 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.522 -0.736 . . . . 1.56 109.696 -179.676 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . 78.89 -175.38 55.07 Favored Glycine 0 N--CA 1.491 2.309 0 N-CA-C 109.282 -1.527 . . . . 0.68 109.282 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -64.01 1.01 1.71 Allowed 'Trans proline' 0 C--N 1.308 -1.597 0 C-N-CA 121.294 1.33 . . . . 0.97 112.453 -179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . -95.28 172.71 30.73 Favored Glycine 0 N--CA 1.492 2.408 0 N-CA-C 109.123 -1.591 . . . . 0.68 109.123 179.646 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . . . . . . . . . . . 81.96 -163.74 43.9 Favored Glycine 0 N--CA 1.49 2.292 0 N-CA-C 109.246 -1.542 . . . . 0.64 109.246 -179.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -71.66 151.0 44.06 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.185 -1.185 . . . . 1.2 109.678 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 11.0 mt -93.85 -1.9 54.2 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.268 -0.895 . . . . 0.52 109.692 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -178.32 175.34 1.19 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.006 -1.059 . . . . 0.39 109.539 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.8 p-80 -168.6 169.51 10.2 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.08 -1.013 . . . . 0.94 109.918 179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -148.06 165.75 29.86 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.419 -0.801 . . . . 0.32 109.283 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 94.8 m-85 -97.84 159.39 14.96 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.445 -0.785 . . . . 0.43 109.115 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 16.2 mp0 -60.06 149.99 72.14 Favored Pre-proline 0 N--CA 1.492 1.643 0 O-C-N 120.89 -1.131 . . . . 2.26 109.468 -179.392 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 0.9 OUTLIER -60.64 97.44 0.12 Allowed 'Trans proline' 0 N--CA 1.492 1.414 0 C-N-CA 120.863 1.042 . . . . 0.5 112.536 179.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -157.34 168.19 34.11 Favored Glycine 0 N--CA 1.49 2.282 0 N-CA-C 109.577 -1.409 . . . . 0.49 109.577 179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 1.9 Cg_endo -61.12 176.81 0.89 Allowed 'Trans proline' 0 C--N 1.311 -1.402 0 C-N-CA 121.038 1.158 . . . . 0.68 112.099 179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLY . . . . . . . . . . . . . . . 69.36 -125.34 17.66 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.781 -1.328 . . . . 0.5 109.781 179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ILE . . . . . . . . . . . . . 20.1 tt -85.02 -8.57 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.16 -1.2 . . . . 0.47 110.092 -179.389 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -59.99 142.18 47.53 Favored Glycine 0 N--CA 1.495 2.624 0 O-C-N 121.044 -1.035 . . . . 0.31 110.669 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . 89.36 -18.63 44.53 Favored Glycine 0 N--CA 1.493 2.469 0 N-CA-C 109.913 -1.275 . . . . 0.32 109.913 179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -65.57 157.27 30.19 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.239 -1.153 . . . . 1.17 110.214 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -137.78 122.31 18.46 Favored 'General case' 0 N--CA 1.489 1.511 0 N-CA-C 109.256 -0.646 . . . . 0.34 109.256 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' HIS . . . . . . . . . . . . . 42.6 m170 -107.67 140.58 40.5 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.721 -0.612 . . . . 0.34 109.706 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.546 ' CE2' ' OE2' ' A' ' 119' ' ' GLU . 35.3 m-85 -115.43 138.15 51.3 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.328 0.585 . . . . 0.31 110.669 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -69.03 96.11 0.76 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.515 -0.741 . . . . 0.42 109.048 178.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 78.4 tt0 -74.3 -3.32 29.44 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.321 -0.862 . . . . 1.71 110.581 -179.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -76.74 -21.0 55.88 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.619 -1.301 . . . . 1.25 109.474 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -89.98 165.76 13.86 Favored 'General case' 0 C--N 1.302 -1.466 0 O-C-N 121.303 -0.873 . . . . 1.61 110.178 -179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 14.1 ttt180 -92.99 115.38 28.07 Favored 'General case' 0 C--N 1.303 -1.455 0 O-C-N 121.47 -0.769 . . . . 3.27 109.413 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . . . . . . . . . 82.1 m95 -90.91 136.78 32.85 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.468 -0.77 . . . . 0.37 109.035 179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' THR . . . . . 0.579 ' OG1' ' O ' ' A' ' 110' ' ' TYR . 63.3 p -127.62 170.01 13.13 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.543 -0.723 . . . . 0.48 109.094 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.402 ' ND2' ' HB3' ' A' ' 29' ' ' ASP . 97.2 m-20 -113.68 21.71 14.76 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.691 -0.631 . . . . 1.38 110.784 -179.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -147.83 -166.27 2.48 Favored 'General case' 0 C--N 1.3 -1.557 0 C-N-CA 119.257 -0.977 . . . . 1.36 109.026 178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.459 ' O ' ' O ' ' A' ' 108' ' ' ARG . 0.7 OUTLIER -72.48 19.98 0.07 Allowed 'General case' 0 C--N 1.297 -1.706 0 O-C-N 121.109 -0.994 . . . . 4.17 112.486 -177.294 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.459 ' O ' ' O ' ' A' ' 107' ' ' PHE . 8.7 mtt180 -60.27 -153.84 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.579 -1.326 . . . . 2.52 108.279 178.194 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 95.5 mt-10 -45.46 -59.51 2.67 Favored 'General case' 0 C--N 1.299 -1.607 0 O-C-N 121.059 -1.026 . . . . 1.85 110.662 -179.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' TYR . . . . . 0.579 ' O ' ' OG1' ' A' ' 104' ' ' THR . 89.4 m-85 -138.43 158.53 44.09 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.172 -0.955 . . . . 0.56 109.811 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -109.57 119.97 41.06 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 108.207 -1.034 . . . . 2.07 108.207 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 45.5 tp -59.89 -42.24 93.37 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.972 -1.08 . . . . 0.41 110.034 -179.083 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 22.7 t-80 -60.02 -40.05 87.96 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.042 -1.036 . . . . 0.9 110.023 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.519 ' NH2' ' OG ' ' A' ' 143' ' ' SER . 2.9 mtt-85 -58.07 -48.33 80.45 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.793 -1.192 . . . . 3.36 109.482 179.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' VAL . . . . . . . . . . . . . 82.9 t -69.58 -39.97 78.99 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 N-CA-C 108.91 -0.774 . . . . 0.42 108.91 -178.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -56.86 -49.67 74.78 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.245 -0.909 . . . . 0.28 109.371 179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -58.68 -40.13 82.67 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.166 -0.959 . . . . 0.29 109.215 179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -60.01 -49.97 75.56 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.4 -0.812 . . . . 0.43 109.53 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.546 ' OE2' ' CE2' ' A' ' 97' ' ' PHE . 44.6 mt-10 -62.85 -39.91 95.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.312 -0.868 . . . . 1.94 109.702 179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 120' ' ' LEU . 85.7 mt -62.67 -36.32 82.51 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.011 -1.056 . . . . 0.4 108.928 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' GLY . . . . . . . . . . . . . . . -59.93 -40.02 96.33 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.473 -1.451 . . . . 0.33 109.473 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' HIS . . . . . . . . . . . . . 73.2 m-70 -66.79 -39.95 87.95 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.109 -1.23 . . . . 0.52 109.575 179.651 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 88.0 p -62.81 -25.38 68.22 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.236 -0.915 . . . . 1.3 109.35 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LEU . . . . . . . . . . . . . 96.1 mt -83.55 -4.2 58.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.262 -0.899 . . . . 0.36 109.212 179.787 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' GLY . . . . . . . . . . . . . . . 90.29 12.3 61.68 Favored Glycine 0 N--CA 1.493 2.445 0 N-CA-C 110.248 -1.141 . . . . 0.43 110.248 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 80.7 mt -79.58 153.0 29.77 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.075 -1.25 . . . . 0.43 109.367 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 45.3 m -115.59 160.95 19.32 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-O 121.61 0.719 . . . . 0.63 110.15 -179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -56.39 170.67 0.34 Allowed 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.486 -0.759 . . . . 1.08 110.016 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' SER . . . . . . . . . . . . . 28.7 t -151.06 163.94 37.6 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.384 -0.822 . . . . 0.63 109.553 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' THR . . . . . . . . . . . . . 71.4 p -98.09 9.99 41.54 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.438 -0.789 . . . . 0.76 109.853 -179.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -83.28 120.36 25.73 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.174 -0.954 . . . . 1.33 109.22 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 25.7 mt -60.0 -38.36 76.34 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.508 0 O-C-N 120.524 -1.36 . . . . 1.34 109.299 179.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' GLY . . . . . . . . . . . . . . . -71.74 5.44 11.88 Favored Glycine 0 N--CA 1.491 2.354 0 C-N-CA 120.051 -1.071 . . . . 0.6 110.801 -179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -96.65 133.73 40.8 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.927 -1.337 . . . . 0.5 109.137 179.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.464 ' C ' ' H ' ' A' ' 137' ' ' TYR . 31.8 mt -70.24 -25.05 63.2 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.073 -1.017 . . . . 0.51 108.942 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' MET . . . . . . . . . . . . . 96.1 mmm -72.7 16.37 0.15 Allowed 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.346 -0.846 . . . . 1.16 109.143 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' TYR . . . . . 0.464 ' H ' ' C ' ' A' ' 135' ' ' LEU . 16.9 t80 -65.66 135.32 95.59 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.172 -0.955 . . . . 0.8 109.435 -179.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 2.1 Cg_endo -59.4 -41.29 59.49 Favored 'Trans proline' 0 N--CA 1.492 1.409 0 CA-C-N 119.637 0.906 . . . . 1.07 113.203 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -85.16 139.49 31.64 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.043 -1.035 . . . . 1.74 110.03 -179.138 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' TYR . . . . . . . . . . . . . 61.5 t80 -69.77 143.94 52.84 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.954 -1.091 . . . . 0.78 109.46 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' THR . . . . . . . . . . . . . 34.7 p -152.2 135.96 16.27 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.144 -0.972 . . . . 1.02 109.438 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -84.11 117.02 23.18 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.062 -1.024 . . . . 2.09 109.874 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.545 ' O ' ' C ' ' A' ' 144' ' ' GLY . 89.2 p -111.05 116.17 30.69 Favored 'General case' 0 C--N 1.304 -1.374 0 N-CA-C 107.463 -1.31 . . . . 2.07 107.463 178.127 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLY . . . . . 0.545 ' C ' ' O ' ' A' ' 143' ' ' SER . . . -21.94 -81.75 0.01 OUTLIER Glycine 0 N--CA 1.507 3.39 0 N-CA-C 111.219 -0.752 . . . . 1.42 111.219 -178.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -98.23 147.87 24.18 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.293 -1.122 . . . . 2.39 108.518 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' VAL . . . . . . . . . . . . . 93.0 t -94.35 107.05 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.476 0 O-C-N 121.203 -0.936 . . . . 0.78 109.123 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -132.16 159.8 37.91 Favored 'General case' 0 N--CA 1.492 1.649 0 N-CA-C 108.845 -0.798 . . . . 1.76 108.845 179.52 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' LEU . . . . . . . . . . . . . 76.6 mt -75.63 158.57 32.23 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.198 -0.939 . . . . 0.4 109.237 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -104.4 158.08 16.72 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.603 -0.686 . . . . 0.4 109.251 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLN . . . . . . . . . . . . . 66.2 tt0 -60.0 -40.99 91.13 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.199 -0.938 . . . . 1.46 109.501 -179.526 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -56.51 -37.68 70.77 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.157 -1.053 . . . . 1.17 108.157 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -76.77 -41.41 44.84 Favored 'General case' 0 C--N 1.305 -1.332 0 O-C-N 121.43 -0.794 . . . . 1.16 109.756 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ILE . . . . . . . . . . . . . 84.2 mt -64.06 -51.43 69.13 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 120.816 -1.178 . . . . 0.88 109.964 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 94.4 m-20 -60.0 -38.16 81.8 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.764 -1.21 . . . . 1.18 109.193 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -62.77 -52.58 47.39 Favored Glycine 0 N--CA 1.491 2.317 0 C-N-CA 120.16 -1.019 . . . . 0.39 110.707 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ILE . . . . . . . . . . . . . 9.0 tp -70.0 -37.45 72.52 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 O-C-N 120.845 -1.385 . . . . 0.35 109.761 -179.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' GLN . . . . . 0.527 ' O ' ' N ' ' A' ' 161' ' ' GLY . 97.0 mt-30 -67.08 -39.7 86.86 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.908 -1.12 . . . . 1.2 109.271 179.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' ALA . . . . . . . . . . . . . . . -59.4 -39.98 85.12 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.149 -0.97 . . . . 0.48 108.907 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' ILE . . . . . 0.931 HG23 ' NH1' ' A' ' 8' ' ' ARG . 96.5 mt -66.46 -50.55 66.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.318 -0.863 . . . . 0.48 110.03 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' TYR . . . . . . . . . . . . . 84.5 m-85 -100.04 -60.56 1.51 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.251 -0.905 . . . . 0.54 109.831 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLY . . . . . 0.527 ' N ' ' O ' ' A' ' 157' ' ' GLN . . . 145.85 -171.09 26.92 Favored Glycine 0 N--CA 1.489 2.183 0 N-CA-C 109.306 -1.518 . . . . 0.45 109.306 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -82.06 157.43 24.14 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.322 -1.105 . . . . 3.41 109.799 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' SER . . . . . . . . . . . . . 58.8 m . . . . . 0 N--CA 1.491 1.605 0 O-C-N 121.277 -0.889 . . . . 0.96 109.402 179.683 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 170' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 171' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 172' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_